USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 625 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 NoAdj-H: A 24 HIS HD1 : A 24 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 50 HIS HD1 : A 50 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 53 HIS HD1 : A 53 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 67 GLN : amide:sc= -0.182! C(o=0.56!,f=-5.1!) USER MOD Set 1.2: A 68 THR OG1 : rot -72:sc= 0.746 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -5:sc= 1.01 USER MOD Single : A 3 SER OG : rot 22:sc= 0.843 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.874 X(o=-0.87,f=-0.86) USER MOD Single : A 20 THR OG1 : rot -170:sc= -0.264 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 28 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.0125) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.012 F(o=-2.1,f=-0.012) USER MOD Single : A 31 MET CE :methyl -147:sc= -1.96! (180deg=-4.57!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -43:sc= 0.7 USER MOD Single : A 38 GLN :FLIP amide:sc= -2.66! C(o=-4!,f=-2.7!) USER MOD Single : A 45 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.114) USER MOD Single : A 54 GLN :FLIP amide:sc= -9.47! C(o=-11!,f=-9.5!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.414 X(o=-0.41,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.666) USER MOD Single : A 71 MET CE :methyl 150:sc= -0.0462 (180deg=-0.595) USER MOD Single : A 72 ASN : amide:sc=-0.00151 X(o=-0.0015,f=-0.21) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -1.13! C(o=-1.1!,f=-0.87!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 32:sc= 0.302 USER MOD Single : A 83 SER OG : rot 180:sc= -0.0224 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.817 35.864 4.225 1.00 0.00 N ATOM 2 CA GLY A 1 -3.685 34.576 3.570 1.00 0.00 C ATOM 3 C GLY A 1 -3.620 33.428 4.558 1.00 0.00 C ATOM 4 O GLY A 1 -2.710 33.362 5.384 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.857 36.616 3.508 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.690 35.878 4.791 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.999 36.023 4.847 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.530 34.425 2.898 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.784 34.575 2.956 1.00 0.00 H new ATOM 8 N SER A 2 -4.588 32.521 4.473 1.00 0.00 N ATOM 9 CA SER A 2 -4.640 31.373 5.370 1.00 0.00 C ATOM 10 C SER A 2 -5.507 30.263 4.782 1.00 0.00 C ATOM 11 O SER A 2 -6.612 30.513 4.300 1.00 0.00 O ATOM 12 CB SER A 2 -5.185 31.790 6.737 1.00 0.00 C ATOM 13 OG SER A 2 -4.272 32.638 7.413 1.00 0.00 O ATOM 0 H SER A 2 -5.347 32.559 3.792 1.00 0.00 H new ATOM 0 HA SER A 2 -3.626 30.993 5.492 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.138 32.304 6.611 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.378 30.903 7.341 1.00 0.00 H new ATOM 0 HG SER A 2 -3.443 32.706 6.894 1.00 0.00 H new ATOM 19 N SER A 3 -4.997 29.036 4.826 1.00 0.00 N ATOM 20 CA SER A 3 -5.721 27.888 4.294 1.00 0.00 C ATOM 21 C SER A 3 -5.197 26.588 4.898 1.00 0.00 C ATOM 22 O SER A 3 -4.021 26.256 4.758 1.00 0.00 O ATOM 23 CB SER A 3 -5.599 27.842 2.770 1.00 0.00 C ATOM 24 OG SER A 3 -6.491 28.757 2.158 1.00 0.00 O ATOM 0 H SER A 3 -4.085 28.812 5.225 1.00 0.00 H new ATOM 0 HA SER A 3 -6.772 27.996 4.563 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.576 28.076 2.477 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.809 26.833 2.416 1.00 0.00 H new ATOM 0 HG SER A 3 -6.741 29.451 2.803 1.00 0.00 H new ATOM 30 N GLY A 4 -6.081 25.856 5.569 1.00 0.00 N ATOM 31 CA GLY A 4 -5.690 24.601 6.185 1.00 0.00 C ATOM 32 C GLY A 4 -6.801 23.570 6.155 1.00 0.00 C ATOM 33 O GLY A 4 -7.981 23.917 6.214 1.00 0.00 O ATOM 0 H GLY A 4 -7.061 26.109 5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.816 24.204 5.670 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.395 24.783 7.218 1.00 0.00 H new ATOM 37 N SER A 5 -6.424 22.299 6.061 1.00 0.00 N ATOM 38 CA SER A 5 -7.397 21.214 6.018 1.00 0.00 C ATOM 39 C SER A 5 -6.782 19.912 6.521 1.00 0.00 C ATOM 40 O SER A 5 -5.570 19.715 6.444 1.00 0.00 O ATOM 41 CB SER A 5 -7.921 21.027 4.593 1.00 0.00 C ATOM 42 OG SER A 5 -9.165 20.349 4.591 1.00 0.00 O ATOM 0 H SER A 5 -5.451 21.995 6.013 1.00 0.00 H new ATOM 0 HA SER A 5 -8.228 21.479 6.671 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.033 21.999 4.113 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.195 20.463 4.007 1.00 0.00 H new ATOM 0 HG SER A 5 -9.479 20.244 3.669 1.00 0.00 H new ATOM 48 N SER A 6 -7.628 19.026 7.037 1.00 0.00 N ATOM 49 CA SER A 6 -7.169 17.744 7.557 1.00 0.00 C ATOM 50 C SER A 6 -8.221 16.660 7.339 1.00 0.00 C ATOM 51 O SER A 6 -9.380 16.954 7.052 1.00 0.00 O ATOM 52 CB SER A 6 -6.843 17.861 9.048 1.00 0.00 C ATOM 53 OG SER A 6 -8.024 17.996 9.819 1.00 0.00 O ATOM 0 H SER A 6 -8.635 19.173 7.106 1.00 0.00 H new ATOM 0 HA SER A 6 -6.266 17.463 7.015 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.292 16.979 9.373 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.195 18.722 9.215 1.00 0.00 H new ATOM 0 HG SER A 6 -7.789 18.067 10.768 1.00 0.00 H new ATOM 59 N GLY A 7 -7.806 15.405 7.478 1.00 0.00 N ATOM 60 CA GLY A 7 -8.724 14.296 7.293 1.00 0.00 C ATOM 61 C GLY A 7 -8.238 13.310 6.248 1.00 0.00 C ATOM 62 O GLY A 7 -7.790 13.705 5.172 1.00 0.00 O ATOM 0 H GLY A 7 -6.851 15.136 7.715 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.859 13.778 8.242 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.700 14.681 6.999 1.00 0.00 H new ATOM 66 N VAL A 8 -8.325 12.022 6.567 1.00 0.00 N ATOM 67 CA VAL A 8 -7.891 10.977 5.648 1.00 0.00 C ATOM 68 C VAL A 8 -8.799 9.755 5.737 1.00 0.00 C ATOM 69 O VAL A 8 -9.261 9.390 6.817 1.00 0.00 O ATOM 70 CB VAL A 8 -6.440 10.546 5.934 1.00 0.00 C ATOM 71 CG1 VAL A 8 -5.459 11.519 5.299 1.00 0.00 C ATOM 72 CG2 VAL A 8 -6.202 10.438 7.433 1.00 0.00 C ATOM 0 H VAL A 8 -8.692 11.678 7.454 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.947 11.396 4.643 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.277 9.563 5.492 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.439 11.198 5.512 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.615 11.541 4.220 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.619 12.516 5.709 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.172 10.133 7.617 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.382 11.406 7.901 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.881 9.698 7.857 1.00 0.00 H new ATOM 82 N GLU A 9 -9.050 9.127 4.592 1.00 0.00 N ATOM 83 CA GLU A 9 -9.904 7.947 4.541 1.00 0.00 C ATOM 84 C GLU A 9 -9.267 6.782 5.294 1.00 0.00 C ATOM 85 O GLU A 9 -8.048 6.610 5.307 1.00 0.00 O ATOM 86 CB GLU A 9 -10.170 7.545 3.089 1.00 0.00 C ATOM 87 CG GLU A 9 -11.024 8.545 2.327 1.00 0.00 C ATOM 88 CD GLU A 9 -11.383 8.065 0.935 1.00 0.00 C ATOM 89 OE1 GLU A 9 -11.876 6.925 0.809 1.00 0.00 O ATOM 90 OE2 GLU A 9 -11.171 8.830 -0.030 1.00 0.00 O ATOM 0 H GLU A 9 -8.674 9.416 3.689 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.851 8.194 5.021 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.217 7.426 2.573 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.663 6.573 3.074 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.939 8.738 2.888 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.489 9.492 2.254 1.00 0.00 H new ATOM 97 N PRO A 10 -10.112 5.961 5.937 1.00 0.00 N ATOM 98 CA PRO A 10 -9.655 4.799 6.704 1.00 0.00 C ATOM 99 C PRO A 10 -9.107 3.693 5.809 1.00 0.00 C ATOM 100 O PRO A 10 -9.468 3.593 4.636 1.00 0.00 O ATOM 101 CB PRO A 10 -10.922 4.327 7.422 1.00 0.00 C ATOM 102 CG PRO A 10 -12.043 4.809 6.567 1.00 0.00 C ATOM 103 CD PRO A 10 -11.577 6.105 5.964 1.00 0.00 C ATOM 0 HA PRO A 10 -8.836 5.052 7.377 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.939 3.242 7.523 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.985 4.742 8.428 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.283 4.082 5.791 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.948 4.956 7.157 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -11.985 6.253 4.964 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.886 6.961 6.564 1.00 0.00 H new ATOM 111 N VAL A 11 -8.232 2.863 6.370 1.00 0.00 N ATOM 112 CA VAL A 11 -7.635 1.763 5.622 1.00 0.00 C ATOM 113 C VAL A 11 -8.695 0.984 4.851 1.00 0.00 C ATOM 114 O VAL A 11 -9.733 0.599 5.389 1.00 0.00 O ATOM 115 CB VAL A 11 -6.880 0.796 6.554 1.00 0.00 C ATOM 116 CG1 VAL A 11 -7.843 0.130 7.525 1.00 0.00 C ATOM 117 CG2 VAL A 11 -6.124 -0.245 5.742 1.00 0.00 C ATOM 0 H VAL A 11 -7.921 2.932 7.339 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.929 2.204 4.919 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.155 1.368 7.133 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.292 -0.549 8.175 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.335 0.892 8.130 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.593 -0.430 6.967 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.596 -0.920 6.416 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.828 -0.815 5.136 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.405 0.253 5.091 1.00 0.00 H new ATOM 127 N PRO A 12 -8.428 0.744 3.558 1.00 0.00 N ATOM 128 CA PRO A 12 -9.346 0.008 2.684 1.00 0.00 C ATOM 129 C PRO A 12 -9.427 -1.472 3.043 1.00 0.00 C ATOM 130 O PRO A 12 -8.534 -2.251 2.710 1.00 0.00 O ATOM 131 CB PRO A 12 -8.732 0.187 1.293 1.00 0.00 C ATOM 132 CG PRO A 12 -7.284 0.428 1.546 1.00 0.00 C ATOM 133 CD PRO A 12 -7.210 1.172 2.851 1.00 0.00 C ATOM 0 HA PRO A 12 -10.369 0.377 2.765 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.884 -0.699 0.676 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -9.186 1.025 0.765 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.736 -0.512 1.601 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.838 1.010 0.739 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.310 0.915 3.410 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -7.193 2.251 2.698 1.00 0.00 H new ATOM 141 N ASP A 13 -10.502 -1.853 3.724 1.00 0.00 N ATOM 142 CA ASP A 13 -10.700 -3.240 4.127 1.00 0.00 C ATOM 143 C ASP A 13 -11.096 -4.102 2.933 1.00 0.00 C ATOM 144 O ASP A 13 -12.250 -4.095 2.502 1.00 0.00 O ATOM 145 CB ASP A 13 -11.773 -3.330 5.214 1.00 0.00 C ATOM 146 CG ASP A 13 -12.135 -4.762 5.553 1.00 0.00 C ATOM 147 OD1 ASP A 13 -11.217 -5.605 5.630 1.00 0.00 O ATOM 148 OD2 ASP A 13 -13.338 -5.040 5.743 1.00 0.00 O ATOM 0 H ASP A 13 -11.250 -1.220 4.009 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.757 -3.614 4.526 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -11.419 -2.825 6.113 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -12.667 -2.801 4.883 1.00 0.00 H new ATOM 153 N THR A 14 -10.130 -4.844 2.399 1.00 0.00 N ATOM 154 CA THR A 14 -10.377 -5.710 1.253 1.00 0.00 C ATOM 155 C THR A 14 -10.422 -7.175 1.670 1.00 0.00 C ATOM 156 O THR A 14 -9.454 -7.707 2.214 1.00 0.00 O ATOM 157 CB THR A 14 -9.296 -5.529 0.170 1.00 0.00 C ATOM 158 OG1 THR A 14 -9.508 -6.464 -0.894 1.00 0.00 O ATOM 159 CG2 THR A 14 -7.906 -5.725 0.755 1.00 0.00 C ATOM 0 H THR A 14 -9.170 -4.862 2.742 1.00 0.00 H new ATOM 0 HA THR A 14 -11.345 -5.423 0.842 1.00 0.00 H new ATOM 0 HB THR A 14 -9.369 -4.513 -0.219 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.818 -6.342 -1.579 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.160 -5.592 -0.028 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.737 -4.993 1.545 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.824 -6.730 1.168 1.00 0.00 H new ATOM 167 N HIS A 15 -11.553 -7.825 1.412 1.00 0.00 N ATOM 168 CA HIS A 15 -11.724 -9.231 1.760 1.00 0.00 C ATOM 169 C HIS A 15 -12.115 -10.050 0.534 1.00 0.00 C ATOM 170 O HIS A 15 -12.953 -10.949 0.616 1.00 0.00 O ATOM 171 CB HIS A 15 -12.786 -9.383 2.849 1.00 0.00 C ATOM 172 CG HIS A 15 -12.975 -10.796 3.307 1.00 0.00 C ATOM 173 ND1 HIS A 15 -11.947 -11.574 3.795 1.00 0.00 N ATOM 174 CD2 HIS A 15 -14.084 -11.572 3.351 1.00 0.00 C ATOM 175 CE1 HIS A 15 -12.414 -12.767 4.118 1.00 0.00 C ATOM 176 NE2 HIS A 15 -13.709 -12.791 3.858 1.00 0.00 N ATOM 0 H HIS A 15 -12.364 -7.400 0.963 1.00 0.00 H new ATOM 0 HA HIS A 15 -10.772 -9.605 2.137 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -12.509 -8.766 3.704 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -13.736 -9.001 2.475 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -15.079 -11.285 3.044 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -11.836 -13.583 4.525 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -14.329 -13.586 4.009 1.00 0.00 H new ATOM 184 N LEU A 16 -11.504 -9.734 -0.603 1.00 0.00 N ATOM 185 CA LEU A 16 -11.789 -10.441 -1.847 1.00 0.00 C ATOM 186 C LEU A 16 -10.517 -10.634 -2.667 1.00 0.00 C ATOM 187 O LEU A 16 -9.544 -9.898 -2.504 1.00 0.00 O ATOM 188 CB LEU A 16 -12.826 -9.672 -2.667 1.00 0.00 C ATOM 189 CG LEU A 16 -14.173 -9.428 -1.986 1.00 0.00 C ATOM 190 CD1 LEU A 16 -14.142 -8.131 -1.192 1.00 0.00 C ATOM 191 CD2 LEU A 16 -15.294 -9.399 -3.015 1.00 0.00 C ATOM 0 H LEU A 16 -10.808 -8.993 -0.689 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.189 -11.423 -1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -12.400 -8.707 -2.941 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.004 -10.217 -3.594 1.00 0.00 H new ATOM 0 HG LEU A 16 -14.363 -10.249 -1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -15.109 -7.974 -0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -13.366 -8.190 -0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -13.929 -7.299 -1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -16.245 -9.224 -2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -15.110 -8.598 -3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -15.331 -10.354 -3.540 1.00 0.00 H new ATOM 203 N ARG A 17 -10.534 -11.627 -3.550 1.00 0.00 N ATOM 204 CA ARG A 17 -9.382 -11.916 -4.396 1.00 0.00 C ATOM 205 C ARG A 17 -9.812 -12.638 -5.670 1.00 0.00 C ATOM 206 O ARG A 17 -10.806 -13.362 -5.680 1.00 0.00 O ATOM 207 CB ARG A 17 -8.363 -12.766 -3.635 1.00 0.00 C ATOM 208 CG ARG A 17 -8.777 -14.220 -3.479 1.00 0.00 C ATOM 209 CD ARG A 17 -7.568 -15.135 -3.369 1.00 0.00 C ATOM 210 NE ARG A 17 -7.853 -16.480 -3.862 1.00 0.00 N ATOM 211 CZ ARG A 17 -7.007 -17.498 -3.749 1.00 0.00 C ATOM 212 NH1 ARG A 17 -5.830 -17.325 -3.163 1.00 0.00 N ATOM 213 NH2 ARG A 17 -7.338 -18.693 -4.222 1.00 0.00 N ATOM 0 H ARG A 17 -11.332 -12.245 -3.698 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.919 -10.969 -4.673 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.406 -12.723 -4.156 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.208 -12.333 -2.647 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.399 -14.329 -2.591 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.385 -14.520 -4.333 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.739 -14.710 -3.935 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.249 -15.190 -2.328 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.750 -16.647 -4.318 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.572 -16.408 -2.797 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.183 -18.109 -3.078 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.243 -18.830 -4.673 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.688 -19.474 -4.135 1.00 0.00 H new ATOM 227 N GLY A 18 -9.054 -12.434 -6.744 1.00 0.00 N ATOM 228 CA GLY A 18 -9.372 -13.071 -8.008 1.00 0.00 C ATOM 229 C GLY A 18 -8.661 -12.424 -9.179 1.00 0.00 C ATOM 230 O GLY A 18 -7.460 -12.159 -9.115 1.00 0.00 O ATOM 0 H GLY A 18 -8.226 -11.839 -6.760 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.099 -14.125 -7.959 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.449 -13.028 -8.172 1.00 0.00 H new ATOM 234 N ILE A 19 -9.402 -12.169 -10.252 1.00 0.00 N ATOM 235 CA ILE A 19 -8.834 -11.549 -11.443 1.00 0.00 C ATOM 236 C ILE A 19 -8.737 -10.035 -11.281 1.00 0.00 C ATOM 237 O ILE A 19 -7.649 -9.462 -11.335 1.00 0.00 O ATOM 238 CB ILE A 19 -9.669 -11.868 -12.697 1.00 0.00 C ATOM 239 CG1 ILE A 19 -9.794 -13.381 -12.882 1.00 0.00 C ATOM 240 CG2 ILE A 19 -9.044 -11.228 -13.927 1.00 0.00 C ATOM 241 CD1 ILE A 19 -8.469 -14.072 -13.118 1.00 0.00 C ATOM 0 H ILE A 19 -10.397 -12.382 -10.321 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.834 -11.964 -11.568 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.668 -11.454 -12.565 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.266 -13.809 -11.998 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -10.455 -13.583 -13.725 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.646 -11.463 -14.805 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.003 -10.147 -13.794 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.034 -11.615 -14.065 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.634 -15.143 -13.241 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -8.005 -13.671 -14.019 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.813 -13.901 -12.265 1.00 0.00 H new ATOM 253 N THR A 20 -9.884 -9.392 -11.082 1.00 0.00 N ATOM 254 CA THR A 20 -9.929 -7.946 -10.912 1.00 0.00 C ATOM 255 C THR A 20 -8.924 -7.484 -9.863 1.00 0.00 C ATOM 256 O THR A 20 -8.239 -8.298 -9.243 1.00 0.00 O ATOM 257 CB THR A 20 -11.337 -7.472 -10.501 1.00 0.00 C ATOM 258 OG1 THR A 20 -11.852 -8.311 -9.461 1.00 0.00 O ATOM 259 CG2 THR A 20 -12.283 -7.493 -11.692 1.00 0.00 C ATOM 0 H THR A 20 -10.794 -9.851 -11.035 1.00 0.00 H new ATOM 0 HA THR A 20 -9.672 -7.507 -11.876 1.00 0.00 H new ATOM 0 HB THR A 20 -11.260 -6.448 -10.136 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.799 -8.107 -9.315 1.00 0.00 H new ATOM 0 HG21 THR A 20 -13.271 -7.155 -11.378 1.00 0.00 H new ATOM 0 HG22 THR A 20 -11.903 -6.831 -12.470 1.00 0.00 H new ATOM 0 HG23 THR A 20 -12.354 -8.508 -12.082 1.00 0.00 H new ATOM 267 N CYS A 21 -8.841 -6.172 -9.668 1.00 0.00 N ATOM 268 CA CYS A 21 -7.919 -5.600 -8.693 1.00 0.00 C ATOM 269 C CYS A 21 -8.438 -5.800 -7.272 1.00 0.00 C ATOM 270 O CYS A 21 -9.637 -5.678 -7.014 1.00 0.00 O ATOM 271 CB CYS A 21 -7.713 -4.110 -8.968 1.00 0.00 C ATOM 272 SG CYS A 21 -6.961 -3.195 -7.584 1.00 0.00 S ATOM 0 H CYS A 21 -9.401 -5.485 -10.172 1.00 0.00 H new ATOM 0 HA CYS A 21 -6.963 -6.115 -8.788 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.081 -3.998 -9.849 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.676 -3.659 -9.207 1.00 0.00 H new ATOM 277 N LEU A 22 -7.529 -6.105 -6.354 1.00 0.00 N ATOM 278 CA LEU A 22 -7.893 -6.321 -4.958 1.00 0.00 C ATOM 279 C LEU A 22 -8.792 -5.198 -4.450 1.00 0.00 C ATOM 280 O LEU A 22 -9.941 -5.431 -4.075 1.00 0.00 O ATOM 281 CB LEU A 22 -6.637 -6.416 -4.091 1.00 0.00 C ATOM 282 CG LEU A 22 -5.735 -7.625 -4.345 1.00 0.00 C ATOM 283 CD1 LEU A 22 -4.302 -7.316 -3.942 1.00 0.00 C ATOM 284 CD2 LEU A 22 -6.252 -8.843 -3.593 1.00 0.00 C ATOM 0 H LEU A 22 -6.534 -6.209 -6.551 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.443 -7.260 -4.893 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.048 -5.511 -4.240 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.942 -6.429 -3.045 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.750 -7.848 -5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.675 -8.188 -4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.934 -6.472 -4.525 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.268 -7.067 -2.881 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.598 -9.694 -3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.267 -8.631 -2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.261 -9.078 -3.931 1.00 0.00 H new ATOM 296 N ASP A 23 -8.261 -3.981 -4.442 1.00 0.00 N ATOM 297 CA ASP A 23 -9.016 -2.820 -3.984 1.00 0.00 C ATOM 298 C ASP A 23 -10.265 -2.614 -4.835 1.00 0.00 C ATOM 299 O ASP A 23 -11.357 -2.395 -4.310 1.00 0.00 O ATOM 300 CB ASP A 23 -8.141 -1.566 -4.027 1.00 0.00 C ATOM 301 CG ASP A 23 -8.668 -0.462 -3.132 1.00 0.00 C ATOM 302 OD1 ASP A 23 -9.868 -0.133 -3.238 1.00 0.00 O ATOM 303 OD2 ASP A 23 -7.880 0.074 -2.325 1.00 0.00 O ATOM 0 H ASP A 23 -7.310 -3.772 -4.747 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.326 -3.002 -2.955 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.127 -1.824 -3.722 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.083 -1.202 -5.053 1.00 0.00 H new ATOM 308 N HIS A 24 -10.096 -2.683 -6.151 1.00 0.00 N ATOM 309 CA HIS A 24 -11.210 -2.503 -7.076 1.00 0.00 C ATOM 310 C HIS A 24 -11.525 -3.805 -7.807 1.00 0.00 C ATOM 311 O HIS A 24 -10.748 -4.258 -8.647 1.00 0.00 O ATOM 312 CB HIS A 24 -10.889 -1.402 -8.086 1.00 0.00 C ATOM 313 CG HIS A 24 -10.255 -0.192 -7.472 1.00 0.00 C ATOM 314 ND1 HIS A 24 -8.916 -0.124 -7.151 1.00 0.00 N ATOM 315 CD2 HIS A 24 -10.785 1.004 -7.121 1.00 0.00 C ATOM 316 CE1 HIS A 24 -8.649 1.059 -6.628 1.00 0.00 C ATOM 317 NE2 HIS A 24 -9.767 1.763 -6.599 1.00 0.00 N ATOM 0 H HIS A 24 -9.199 -2.862 -6.602 1.00 0.00 H new ATOM 0 HA HIS A 24 -12.086 -2.210 -6.498 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -10.222 -1.804 -8.849 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -11.808 -1.104 -8.590 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.816 1.305 -7.231 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -7.682 1.394 -6.283 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -9.859 2.716 -6.246 1.00 0.00 H new ATOM 325 N GLU A 25 -12.668 -4.400 -7.481 1.00 0.00 N ATOM 326 CA GLU A 25 -13.083 -5.650 -8.106 1.00 0.00 C ATOM 327 C GLU A 25 -13.792 -5.386 -9.432 1.00 0.00 C ATOM 328 O GLU A 25 -14.707 -6.113 -9.814 1.00 0.00 O ATOM 329 CB GLU A 25 -14.006 -6.433 -7.169 1.00 0.00 C ATOM 330 CG GLU A 25 -15.344 -5.755 -6.927 1.00 0.00 C ATOM 331 CD GLU A 25 -16.459 -6.746 -6.652 1.00 0.00 C ATOM 332 OE1 GLU A 25 -16.158 -7.854 -6.161 1.00 0.00 O ATOM 333 OE2 GLU A 25 -17.630 -6.414 -6.928 1.00 0.00 O ATOM 0 H GLU A 25 -13.323 -4.037 -6.788 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.189 -6.242 -8.303 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -14.181 -7.424 -7.589 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.503 -6.576 -6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -15.253 -5.072 -6.082 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -15.605 -5.153 -7.797 1.00 0.00 H new ATOM 340 N ASN A 26 -13.360 -4.339 -10.128 1.00 0.00 N ATOM 341 CA ASN A 26 -13.953 -3.978 -11.411 1.00 0.00 C ATOM 342 C ASN A 26 -12.873 -3.717 -12.455 1.00 0.00 C ATOM 343 O ASN A 26 -12.983 -4.157 -13.599 1.00 0.00 O ATOM 344 CB ASN A 26 -14.839 -2.739 -11.256 1.00 0.00 C ATOM 345 CG ASN A 26 -16.125 -3.038 -10.511 1.00 0.00 C ATOM 346 OD1 ASN A 26 -16.939 -3.849 -10.955 1.00 0.00 O ATOM 347 ND2 ASN A 26 -16.316 -2.381 -9.372 1.00 0.00 N ATOM 0 H ASN A 26 -12.603 -3.726 -9.826 1.00 0.00 H new ATOM 0 HA ASN A 26 -14.565 -4.814 -11.749 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -14.286 -1.964 -10.725 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -15.078 -2.341 -12.242 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -17.164 -2.540 -8.828 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -15.615 -1.718 -9.042 1.00 0.00 H new ATOM 354 N GLU A 27 -11.829 -2.998 -12.053 1.00 0.00 N ATOM 355 CA GLU A 27 -10.729 -2.679 -12.955 1.00 0.00 C ATOM 356 C GLU A 27 -9.665 -3.772 -12.923 1.00 0.00 C ATOM 357 O GLU A 27 -9.102 -4.077 -11.871 1.00 0.00 O ATOM 358 CB GLU A 27 -10.105 -1.333 -12.578 1.00 0.00 C ATOM 359 CG GLU A 27 -11.062 -0.161 -12.709 1.00 0.00 C ATOM 360 CD GLU A 27 -11.178 0.340 -14.136 1.00 0.00 C ATOM 361 OE1 GLU A 27 -10.147 0.378 -14.838 1.00 0.00 O ATOM 362 OE2 GLU A 27 -12.302 0.695 -14.550 1.00 0.00 O ATOM 0 H GLU A 27 -11.722 -2.626 -11.109 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.129 -2.615 -13.967 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.745 -1.384 -11.550 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.236 -1.155 -13.212 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.047 -0.460 -12.351 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.723 0.653 -12.068 1.00 0.00 H new ATOM 369 N LYS A 28 -9.394 -4.360 -14.084 1.00 0.00 N ATOM 370 CA LYS A 28 -8.397 -5.419 -14.192 1.00 0.00 C ATOM 371 C LYS A 28 -6.985 -4.842 -14.161 1.00 0.00 C ATOM 372 O LYS A 28 -6.594 -4.085 -15.049 1.00 0.00 O ATOM 373 CB LYS A 28 -8.607 -6.215 -15.482 1.00 0.00 C ATOM 374 CG LYS A 28 -9.978 -6.860 -15.583 1.00 0.00 C ATOM 375 CD LYS A 28 -9.987 -8.250 -14.970 1.00 0.00 C ATOM 376 CE LYS A 28 -11.191 -9.056 -15.433 1.00 0.00 C ATOM 377 NZ LYS A 28 -10.925 -9.763 -16.717 1.00 0.00 N ATOM 0 H LYS A 28 -9.851 -4.121 -14.964 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.516 -6.086 -13.338 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.463 -5.552 -16.335 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.844 -6.991 -15.548 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.714 -6.234 -15.078 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.276 -6.921 -16.630 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.071 -8.774 -15.241 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.998 -8.169 -13.883 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.458 -9.784 -14.666 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.047 -8.393 -15.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.744 -9.655 -17.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.083 -9.355 -17.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.762 -10.773 -16.530 1.00 0.00 H new ATOM 391 N VAL A 29 -6.225 -5.207 -13.133 1.00 0.00 N ATOM 392 CA VAL A 29 -4.855 -4.728 -12.988 1.00 0.00 C ATOM 393 C VAL A 29 -4.159 -4.636 -14.342 1.00 0.00 C ATOM 394 O VAL A 29 -4.086 -5.617 -15.081 1.00 0.00 O ATOM 395 CB VAL A 29 -4.035 -5.645 -12.062 1.00 0.00 C ATOM 396 CG1 VAL A 29 -4.389 -5.388 -10.606 1.00 0.00 C ATOM 397 CG2 VAL A 29 -4.260 -7.106 -12.424 1.00 0.00 C ATOM 0 H VAL A 29 -6.534 -5.832 -12.389 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.912 -3.734 -12.544 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.978 -5.419 -12.199 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.800 -6.045 -9.967 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.172 -4.349 -10.357 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.450 -5.585 -10.449 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.673 -7.740 -11.760 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.317 -7.349 -12.317 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.951 -7.277 -13.455 1.00 0.00 H new ATOM 407 N ASN A 30 -3.648 -3.451 -14.659 1.00 0.00 N ATOM 408 CA ASN A 30 -2.957 -3.231 -15.924 1.00 0.00 C ATOM 409 C ASN A 30 -1.600 -2.571 -15.695 1.00 0.00 C ATOM 410 O ASN A 30 -0.860 -2.305 -16.642 1.00 0.00 O ATOM 411 CB ASN A 30 -3.810 -2.362 -16.851 1.00 0.00 C ATOM 412 CG ASN A 30 -4.023 -0.965 -16.299 1.00 0.00 C ATOM 413 OD1 ASN A 30 -4.835 -0.861 -15.253 1.00 0.00 O flip ATOM 414 ND2 ASN A 30 -3.465 0.007 -16.807 1.00 0.00 N flip ATOM 0 H ASN A 30 -3.699 -2.629 -14.058 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.795 -4.201 -16.394 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.329 -2.295 -17.827 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.777 -2.840 -17.005 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.849 -0.121 -17.610 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.618 0.940 -16.425 1.00 0.00 H new ATOM 421 N MET A 31 -1.281 -2.309 -14.432 1.00 0.00 N ATOM 422 CA MET A 31 -0.013 -1.682 -14.079 1.00 0.00 C ATOM 423 C MET A 31 0.692 -2.465 -12.976 1.00 0.00 C ATOM 424 O MET A 31 0.150 -3.436 -12.447 1.00 0.00 O ATOM 425 CB MET A 31 -0.242 -0.238 -13.628 1.00 0.00 C ATOM 426 CG MET A 31 -0.189 0.769 -14.765 1.00 0.00 C ATOM 427 SD MET A 31 -0.359 2.471 -14.194 1.00 0.00 S ATOM 428 CE MET A 31 -2.041 2.456 -13.580 1.00 0.00 C ATOM 0 H MET A 31 -1.883 -2.521 -13.636 1.00 0.00 H new ATOM 0 HA MET A 31 0.623 -1.682 -14.964 1.00 0.00 H new ATOM 0 HB2 MET A 31 -1.213 -0.169 -13.137 1.00 0.00 H new ATOM 0 HB3 MET A 31 0.510 0.026 -12.885 1.00 0.00 H new ATOM 0 HG2 MET A 31 0.756 0.661 -15.297 1.00 0.00 H new ATOM 0 HG3 MET A 31 -0.983 0.548 -15.478 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.496 3.434 -13.740 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.616 1.697 -14.111 1.00 0.00 H new ATOM 0 HE3 MET A 31 -2.037 2.228 -12.514 1.00 0.00 H new ATOM 438 N TYR A 32 1.903 -2.038 -12.635 1.00 0.00 N ATOM 439 CA TYR A 32 2.683 -2.702 -11.597 1.00 0.00 C ATOM 440 C TYR A 32 3.615 -1.715 -10.901 1.00 0.00 C ATOM 441 O TYR A 32 4.564 -1.209 -11.501 1.00 0.00 O ATOM 442 CB TYR A 32 3.496 -3.851 -12.197 1.00 0.00 C ATOM 443 CG TYR A 32 4.735 -4.196 -11.402 1.00 0.00 C ATOM 444 CD1 TYR A 32 4.670 -5.063 -10.319 1.00 0.00 C ATOM 445 CD2 TYR A 32 5.970 -3.653 -11.734 1.00 0.00 C ATOM 446 CE1 TYR A 32 5.800 -5.380 -9.589 1.00 0.00 C ATOM 447 CE2 TYR A 32 7.105 -3.966 -11.011 1.00 0.00 C ATOM 448 CZ TYR A 32 7.015 -4.830 -9.939 1.00 0.00 C ATOM 449 OH TYR A 32 8.143 -5.143 -9.216 1.00 0.00 O ATOM 0 H TYR A 32 2.366 -1.235 -13.062 1.00 0.00 H new ATOM 0 HA TYR A 32 1.990 -3.103 -10.858 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.862 -4.735 -12.268 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.789 -3.586 -13.213 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.720 -5.497 -10.043 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.044 -2.975 -12.571 1.00 0.00 H new ATOM 0 HE1 TYR A 32 5.732 -6.055 -8.749 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.058 -3.537 -11.284 1.00 0.00 H new ATOM 0 HH TYR A 32 8.915 -4.672 -9.594 1.00 0.00 H new ATOM 459 N CYS A 33 3.337 -1.445 -9.630 1.00 0.00 N ATOM 460 CA CYS A 33 4.149 -0.519 -8.849 1.00 0.00 C ATOM 461 C CYS A 33 5.556 -1.071 -8.641 1.00 0.00 C ATOM 462 O CYS A 33 5.743 -2.277 -8.477 1.00 0.00 O ATOM 463 CB CYS A 33 3.490 -0.247 -7.496 1.00 0.00 C ATOM 464 SG CYS A 33 4.174 1.191 -6.611 1.00 0.00 S ATOM 0 H CYS A 33 2.555 -1.854 -9.119 1.00 0.00 H new ATOM 0 HA CYS A 33 4.224 0.416 -9.404 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.422 -0.092 -7.649 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.597 -1.131 -6.868 1.00 0.00 H new ATOM 469 N VAL A 34 6.542 -0.180 -8.647 1.00 0.00 N ATOM 470 CA VAL A 34 7.932 -0.577 -8.457 1.00 0.00 C ATOM 471 C VAL A 34 8.306 -0.580 -6.979 1.00 0.00 C ATOM 472 O VAL A 34 8.994 -1.483 -6.504 1.00 0.00 O ATOM 473 CB VAL A 34 8.892 0.359 -9.216 1.00 0.00 C ATOM 474 CG1 VAL A 34 10.336 -0.065 -8.996 1.00 0.00 C ATOM 475 CG2 VAL A 34 8.554 0.378 -10.699 1.00 0.00 C ATOM 0 H VAL A 34 6.404 0.822 -8.781 1.00 0.00 H new ATOM 0 HA VAL A 34 8.030 -1.587 -8.856 1.00 0.00 H new ATOM 0 HB VAL A 34 8.772 1.370 -8.826 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.000 0.608 -9.540 1.00 0.00 H new ATOM 0 HG12 VAL A 34 10.569 -0.023 -7.932 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.475 -1.083 -9.358 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.242 1.044 -11.220 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.646 -0.629 -11.106 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.532 0.733 -10.835 1.00 0.00 H new ATOM 485 N SER A 35 7.847 0.437 -6.257 1.00 0.00 N ATOM 486 CA SER A 35 8.136 0.554 -4.832 1.00 0.00 C ATOM 487 C SER A 35 7.413 -0.532 -4.040 1.00 0.00 C ATOM 488 O SER A 35 7.982 -1.135 -3.130 1.00 0.00 O ATOM 489 CB SER A 35 7.725 1.935 -4.318 1.00 0.00 C ATOM 490 OG SER A 35 6.316 2.087 -4.338 1.00 0.00 O ATOM 0 H SER A 35 7.274 1.191 -6.635 1.00 0.00 H new ATOM 0 HA SER A 35 9.210 0.427 -4.693 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.095 2.073 -3.302 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.186 2.708 -4.933 1.00 0.00 H new ATOM 0 HG SER A 35 5.960 1.726 -5.177 1.00 0.00 H new ATOM 496 N ASP A 36 6.156 -0.775 -4.394 1.00 0.00 N ATOM 497 CA ASP A 36 5.354 -1.789 -3.718 1.00 0.00 C ATOM 498 C ASP A 36 5.522 -3.149 -4.387 1.00 0.00 C ATOM 499 O ASP A 36 5.210 -4.184 -3.798 1.00 0.00 O ATOM 500 CB ASP A 36 3.879 -1.385 -3.718 1.00 0.00 C ATOM 501 CG ASP A 36 3.599 -0.213 -2.798 1.00 0.00 C ATOM 502 OD1 ASP A 36 3.435 -0.440 -1.581 1.00 0.00 O ATOM 503 OD2 ASP A 36 3.544 0.932 -3.295 1.00 0.00 O ATOM 0 H ASP A 36 5.670 -0.284 -5.145 1.00 0.00 H new ATOM 0 HA ASP A 36 5.702 -1.866 -2.688 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.576 -1.127 -4.733 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.272 -2.237 -3.411 1.00 0.00 H new ATOM 508 N ASP A 37 6.015 -3.140 -5.621 1.00 0.00 N ATOM 509 CA ASP A 37 6.224 -4.373 -6.370 1.00 0.00 C ATOM 510 C ASP A 37 4.975 -5.248 -6.336 1.00 0.00 C ATOM 511 O ASP A 37 5.045 -6.433 -6.011 1.00 0.00 O ATOM 512 CB ASP A 37 7.417 -5.143 -5.803 1.00 0.00 C ATOM 513 CG ASP A 37 8.623 -4.254 -5.572 1.00 0.00 C ATOM 514 OD1 ASP A 37 8.548 -3.367 -4.696 1.00 0.00 O ATOM 515 OD2 ASP A 37 9.643 -4.446 -6.267 1.00 0.00 O ATOM 0 H ASP A 37 6.277 -2.292 -6.123 1.00 0.00 H new ATOM 0 HA ASP A 37 6.432 -4.108 -7.407 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.129 -5.612 -4.862 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.687 -5.946 -6.489 1.00 0.00 H new ATOM 520 N GLN A 38 3.834 -4.656 -6.672 1.00 0.00 N ATOM 521 CA GLN A 38 2.569 -5.382 -6.677 1.00 0.00 C ATOM 522 C GLN A 38 1.724 -4.993 -7.885 1.00 0.00 C ATOM 523 O GLN A 38 1.875 -3.902 -8.437 1.00 0.00 O ATOM 524 CB GLN A 38 1.794 -5.108 -5.387 1.00 0.00 C ATOM 525 CG GLN A 38 0.793 -6.197 -5.036 1.00 0.00 C ATOM 526 CD GLN A 38 -0.502 -6.073 -5.815 1.00 0.00 C ATOM 527 OE1 GLN A 38 -0.948 -7.177 -6.401 1.00 0.00 O flip ATOM 528 NE2 GLN A 38 -1.094 -4.996 -5.889 1.00 0.00 N flip ATOM 0 H GLN A 38 3.759 -3.676 -6.944 1.00 0.00 H new ATOM 0 HA GLN A 38 2.790 -6.447 -6.739 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.501 -4.997 -4.565 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.267 -4.159 -5.484 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.239 -7.172 -5.233 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.576 -6.155 -3.969 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.714 -4.172 -5.422 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.964 -4.928 -6.417 1.00 0.00 H new ATOM 537 N LEU A 39 0.833 -5.891 -8.292 1.00 0.00 N ATOM 538 CA LEU A 39 -0.037 -5.642 -9.435 1.00 0.00 C ATOM 539 C LEU A 39 -1.200 -4.734 -9.048 1.00 0.00 C ATOM 540 O LEU A 39 -2.022 -5.088 -8.202 1.00 0.00 O ATOM 541 CB LEU A 39 -0.571 -6.963 -9.992 1.00 0.00 C ATOM 542 CG LEU A 39 0.480 -8.014 -10.353 1.00 0.00 C ATOM 543 CD1 LEU A 39 -0.165 -9.381 -10.515 1.00 0.00 C ATOM 544 CD2 LEU A 39 1.218 -7.616 -11.623 1.00 0.00 C ATOM 0 H LEU A 39 0.695 -6.798 -7.847 1.00 0.00 H new ATOM 0 HA LEU A 39 0.551 -5.141 -10.204 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.251 -7.395 -9.258 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.160 -6.747 -10.883 1.00 0.00 H new ATOM 0 HG LEU A 39 1.203 -8.071 -9.539 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.598 -10.115 -10.772 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.646 -9.669 -9.580 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.910 -9.340 -11.309 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.962 -8.375 -11.865 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.507 -7.530 -12.445 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.714 -6.658 -11.470 1.00 0.00 H new ATOM 556 N ILE A 40 -1.263 -3.563 -9.672 1.00 0.00 N ATOM 557 CA ILE A 40 -2.326 -2.606 -9.395 1.00 0.00 C ATOM 558 C ILE A 40 -3.098 -2.258 -10.663 1.00 0.00 C ATOM 559 O ILE A 40 -2.735 -2.684 -11.760 1.00 0.00 O ATOM 560 CB ILE A 40 -1.770 -1.311 -8.774 1.00 0.00 C ATOM 561 CG1 ILE A 40 -0.930 -0.547 -9.800 1.00 0.00 C ATOM 562 CG2 ILE A 40 -0.944 -1.628 -7.537 1.00 0.00 C ATOM 563 CD1 ILE A 40 -0.768 0.922 -9.476 1.00 0.00 C ATOM 0 H ILE A 40 -0.590 -3.254 -10.373 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.000 -3.081 -8.682 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.608 -0.681 -8.476 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.056 -1.007 -9.865 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.393 -0.645 -10.782 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.558 -0.702 -7.110 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.570 -2.134 -6.802 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.111 -2.275 -7.812 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.162 1.400 -10.246 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.748 1.397 -9.440 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.277 1.029 -8.509 1.00 0.00 H new ATOM 575 N CYS A 41 -4.163 -1.479 -10.507 1.00 0.00 N ATOM 576 CA CYS A 41 -4.986 -1.071 -11.639 1.00 0.00 C ATOM 577 C CYS A 41 -4.847 0.426 -11.901 1.00 0.00 C ATOM 578 O CYS A 41 -4.129 1.127 -11.189 1.00 0.00 O ATOM 579 CB CYS A 41 -6.453 -1.421 -11.382 1.00 0.00 C ATOM 580 SG CYS A 41 -7.273 -0.339 -10.168 1.00 0.00 S ATOM 0 H CYS A 41 -4.477 -1.117 -9.606 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.640 -1.610 -12.521 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.998 -1.370 -12.325 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.514 -2.452 -11.034 1.00 0.00 H new ATOM 585 N ALA A 42 -5.539 0.907 -12.929 1.00 0.00 N ATOM 586 CA ALA A 42 -5.494 2.320 -13.284 1.00 0.00 C ATOM 587 C ALA A 42 -5.947 3.194 -12.119 1.00 0.00 C ATOM 588 O ALA A 42 -5.265 4.149 -11.745 1.00 0.00 O ATOM 589 CB ALA A 42 -6.357 2.583 -14.510 1.00 0.00 C ATOM 0 H ALA A 42 -6.137 0.339 -13.530 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.461 2.578 -13.517 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.315 3.642 -14.764 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.987 1.993 -15.349 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.388 2.302 -14.296 1.00 0.00 H new ATOM 595 N LEU A 43 -7.100 2.861 -11.549 1.00 0.00 N ATOM 596 CA LEU A 43 -7.644 3.616 -10.426 1.00 0.00 C ATOM 597 C LEU A 43 -6.644 3.676 -9.275 1.00 0.00 C ATOM 598 O LEU A 43 -6.545 4.685 -8.577 1.00 0.00 O ATOM 599 CB LEU A 43 -8.952 2.985 -9.948 1.00 0.00 C ATOM 600 CG LEU A 43 -10.209 3.372 -10.729 1.00 0.00 C ATOM 601 CD1 LEU A 43 -11.340 2.398 -10.437 1.00 0.00 C ATOM 602 CD2 LEU A 43 -10.628 4.796 -10.394 1.00 0.00 C ATOM 0 H LEU A 43 -7.676 2.073 -11.846 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.841 4.633 -10.765 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.844 1.901 -9.986 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.101 3.254 -8.902 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.981 3.323 -11.794 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.226 2.689 -11.001 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.038 1.392 -10.729 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.568 2.414 -9.371 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.524 5.054 -10.959 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.837 4.872 -9.327 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.823 5.483 -10.656 1.00 0.00 H new ATOM 614 N CYS A 44 -5.904 2.589 -9.084 1.00 0.00 N ATOM 615 CA CYS A 44 -4.911 2.518 -8.020 1.00 0.00 C ATOM 616 C CYS A 44 -3.827 3.575 -8.214 1.00 0.00 C ATOM 617 O CYS A 44 -3.081 3.894 -7.288 1.00 0.00 O ATOM 618 CB CYS A 44 -4.278 1.125 -7.977 1.00 0.00 C ATOM 619 SG CYS A 44 -5.210 -0.084 -6.982 1.00 0.00 S ATOM 0 H CYS A 44 -5.974 1.745 -9.653 1.00 0.00 H new ATOM 0 HA CYS A 44 -5.416 2.711 -7.073 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.186 0.748 -8.995 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -3.268 1.209 -7.576 1.00 0.00 H new ATOM 624 N LYS A 45 -3.746 4.114 -9.426 1.00 0.00 N ATOM 625 CA LYS A 45 -2.756 5.136 -9.744 1.00 0.00 C ATOM 626 C LYS A 45 -3.403 6.516 -9.818 1.00 0.00 C ATOM 627 O LYS A 45 -2.778 7.524 -9.486 1.00 0.00 O ATOM 628 CB LYS A 45 -2.067 4.812 -11.072 1.00 0.00 C ATOM 629 CG LYS A 45 -1.089 5.882 -11.526 1.00 0.00 C ATOM 630 CD LYS A 45 0.259 5.731 -10.840 1.00 0.00 C ATOM 631 CE LYS A 45 1.117 6.974 -11.020 1.00 0.00 C ATOM 632 NZ LYS A 45 1.268 7.342 -12.455 1.00 0.00 N ATOM 0 H LYS A 45 -4.354 3.860 -10.204 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.011 5.145 -8.948 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.537 3.864 -10.975 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.826 4.675 -11.842 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.958 5.822 -12.606 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.500 6.868 -11.310 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.109 5.542 -9.777 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.781 4.865 -11.247 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.669 7.806 -10.477 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.101 6.802 -10.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.014 8.060 -12.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.526 6.498 -13.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.369 7.725 -12.811 1.00 0.00 H new ATOM 646 N LEU A 46 -4.657 6.554 -10.254 1.00 0.00 N ATOM 647 CA LEU A 46 -5.389 7.810 -10.370 1.00 0.00 C ATOM 648 C LEU A 46 -5.621 8.434 -8.997 1.00 0.00 C ATOM 649 O LEU A 46 -5.188 9.556 -8.733 1.00 0.00 O ATOM 650 CB LEU A 46 -6.729 7.579 -11.070 1.00 0.00 C ATOM 651 CG LEU A 46 -6.721 7.708 -12.594 1.00 0.00 C ATOM 652 CD1 LEU A 46 -5.368 7.303 -13.157 1.00 0.00 C ATOM 653 CD2 LEU A 46 -7.830 6.865 -13.206 1.00 0.00 C ATOM 0 H LEU A 46 -5.188 5.729 -10.533 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.789 8.498 -10.965 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.084 6.581 -10.812 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.453 8.289 -10.669 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.901 8.752 -12.852 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.381 7.401 -14.242 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.594 7.949 -12.744 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.158 6.268 -12.889 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.809 6.969 -14.291 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.681 5.819 -12.939 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.795 7.203 -12.827 1.00 0.00 H new ATOM 665 N VAL A 47 -6.304 7.699 -8.126 1.00 0.00 N ATOM 666 CA VAL A 47 -6.590 8.178 -6.779 1.00 0.00 C ATOM 667 C VAL A 47 -6.028 7.229 -5.727 1.00 0.00 C ATOM 668 O VAL A 47 -5.963 7.564 -4.545 1.00 0.00 O ATOM 669 CB VAL A 47 -8.105 8.341 -6.551 1.00 0.00 C ATOM 670 CG1 VAL A 47 -8.681 9.373 -7.509 1.00 0.00 C ATOM 671 CG2 VAL A 47 -8.813 7.004 -6.706 1.00 0.00 C ATOM 0 H VAL A 47 -6.670 6.769 -8.329 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.108 9.151 -6.680 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.266 8.696 -5.533 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.752 9.475 -7.333 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.193 10.334 -7.345 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.511 9.051 -8.536 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.882 7.137 -6.542 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.646 6.618 -7.712 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.419 6.297 -5.976 1.00 0.00 H new ATOM 681 N GLY A 48 -5.621 6.042 -6.166 1.00 0.00 N ATOM 682 CA GLY A 48 -5.069 5.062 -5.249 1.00 0.00 C ATOM 683 C GLY A 48 -3.912 5.612 -4.439 1.00 0.00 C ATOM 684 O GLY A 48 -3.536 6.775 -4.593 1.00 0.00 O ATOM 0 H GLY A 48 -5.664 5.742 -7.140 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.852 4.721 -4.572 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.733 4.191 -5.812 1.00 0.00 H new ATOM 688 N ARG A 49 -3.347 4.777 -3.574 1.00 0.00 N ATOM 689 CA ARG A 49 -2.228 5.188 -2.735 1.00 0.00 C ATOM 690 C ARG A 49 -0.951 5.323 -3.559 1.00 0.00 C ATOM 691 O ARG A 49 0.060 5.835 -3.078 1.00 0.00 O ATOM 692 CB ARG A 49 -2.013 4.180 -1.604 1.00 0.00 C ATOM 693 CG ARG A 49 -2.802 4.501 -0.345 1.00 0.00 C ATOM 694 CD ARG A 49 -2.422 3.576 0.801 1.00 0.00 C ATOM 695 NE ARG A 49 -1.193 4.002 1.464 1.00 0.00 N ATOM 696 CZ ARG A 49 -1.092 5.117 2.179 1.00 0.00 C ATOM 697 NH1 ARG A 49 -2.142 5.914 2.322 1.00 0.00 N ATOM 698 NH2 ARG A 49 0.061 5.437 2.753 1.00 0.00 N ATOM 0 H ARG A 49 -3.646 3.812 -3.436 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.468 6.161 -2.305 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.294 3.187 -1.955 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.952 4.143 -1.358 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.621 5.536 -0.054 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.869 4.410 -0.549 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.234 3.546 1.527 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.296 2.562 0.422 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.367 3.411 1.373 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.030 5.672 1.882 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.062 6.770 2.872 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.871 4.827 2.645 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.137 6.293 3.302 1.00 0.00 H new ATOM 712 N HIS A 50 -1.005 4.861 -4.804 1.00 0.00 N ATOM 713 CA HIS A 50 0.147 4.930 -5.696 1.00 0.00 C ATOM 714 C HIS A 50 0.138 6.229 -6.496 1.00 0.00 C ATOM 715 O HIS A 50 0.613 6.274 -7.631 1.00 0.00 O ATOM 716 CB HIS A 50 0.155 3.732 -6.647 1.00 0.00 C ATOM 717 CG HIS A 50 -0.157 2.431 -5.974 1.00 0.00 C ATOM 718 ND1 HIS A 50 0.811 1.512 -5.627 1.00 0.00 N ATOM 719 CD2 HIS A 50 -1.338 1.898 -5.583 1.00 0.00 C ATOM 720 CE1 HIS A 50 0.239 0.469 -5.053 1.00 0.00 C ATOM 721 NE2 HIS A 50 -1.065 0.678 -5.013 1.00 0.00 N ATOM 0 H HIS A 50 -1.834 4.435 -5.218 1.00 0.00 H new ATOM 0 HA HIS A 50 1.050 4.906 -5.086 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.571 3.904 -7.441 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.134 3.661 -7.121 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.313 2.348 -5.698 1.00 0.00 H new ATOM 0 HE1 HIS A 50 0.750 -0.406 -4.680 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -1.756 0.038 -4.623 1.00 0.00 H new ATOM 729 N ARG A 51 -0.405 7.283 -5.896 1.00 0.00 N ATOM 730 CA ARG A 51 -0.478 8.583 -6.553 1.00 0.00 C ATOM 731 C ARG A 51 0.917 9.168 -6.757 1.00 0.00 C ATOM 732 O ARG A 51 1.206 9.763 -7.795 1.00 0.00 O ATOM 733 CB ARG A 51 -1.332 9.548 -5.729 1.00 0.00 C ATOM 734 CG ARG A 51 -2.807 9.520 -6.094 1.00 0.00 C ATOM 735 CD ARG A 51 -3.468 10.866 -5.844 1.00 0.00 C ATOM 736 NE ARG A 51 -2.803 11.946 -6.569 1.00 0.00 N ATOM 737 CZ ARG A 51 -3.177 13.218 -6.497 1.00 0.00 C ATOM 738 NH1 ARG A 51 -4.205 13.569 -5.737 1.00 0.00 N ATOM 739 NH2 ARG A 51 -2.521 14.143 -7.187 1.00 0.00 N ATOM 0 H ARG A 51 -0.801 7.263 -4.956 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.941 8.443 -7.530 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.223 9.304 -4.672 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.952 10.561 -5.863 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.918 9.248 -7.144 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.313 8.751 -5.510 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.514 10.818 -6.146 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.454 11.084 -4.776 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.008 11.710 -7.163 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.711 12.861 -5.205 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.490 14.547 -5.684 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.729 13.877 -7.773 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.808 15.120 -7.132 1.00 0.00 H new ATOM 753 N ASP A 52 1.777 8.994 -5.760 1.00 0.00 N ATOM 754 CA ASP A 52 3.141 9.504 -5.829 1.00 0.00 C ATOM 755 C ASP A 52 4.144 8.359 -5.938 1.00 0.00 C ATOM 756 O ASP A 52 5.314 8.509 -5.584 1.00 0.00 O ATOM 757 CB ASP A 52 3.453 10.357 -4.598 1.00 0.00 C ATOM 758 CG ASP A 52 4.885 10.854 -4.587 1.00 0.00 C ATOM 759 OD1 ASP A 52 5.491 10.947 -5.675 1.00 0.00 O ATOM 760 OD2 ASP A 52 5.400 11.152 -3.489 1.00 0.00 O ATOM 0 H ASP A 52 1.554 8.503 -4.894 1.00 0.00 H new ATOM 0 HA ASP A 52 3.226 10.124 -6.721 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.775 11.210 -4.569 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.267 9.772 -3.697 1.00 0.00 H new ATOM 765 N HIS A 53 3.678 7.215 -6.428 1.00 0.00 N ATOM 766 CA HIS A 53 4.534 6.044 -6.582 1.00 0.00 C ATOM 767 C HIS A 53 4.953 5.866 -8.038 1.00 0.00 C ATOM 768 O HIS A 53 4.426 6.529 -8.931 1.00 0.00 O ATOM 769 CB HIS A 53 3.812 4.790 -6.090 1.00 0.00 C ATOM 770 CG HIS A 53 3.880 4.602 -4.606 1.00 0.00 C ATOM 771 ND1 HIS A 53 3.213 3.593 -3.943 1.00 0.00 N ATOM 772 CD2 HIS A 53 4.542 5.302 -3.655 1.00 0.00 C ATOM 773 CE1 HIS A 53 3.461 3.681 -2.649 1.00 0.00 C ATOM 774 NE2 HIS A 53 4.266 4.709 -2.447 1.00 0.00 N ATOM 0 H HIS A 53 2.713 7.074 -6.725 1.00 0.00 H new ATOM 0 HA HIS A 53 5.430 6.197 -5.980 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.766 4.840 -6.394 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.244 3.917 -6.579 1.00 0.00 H new ATOM 0 HD2 HIS A 53 5.170 6.166 -3.816 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.072 3.024 -1.885 1.00 0.00 H new ATOM 0 HE2 HIS A 53 4.624 5.013 -1.542 1.00 0.00 H new ATOM 782 N GLN A 54 5.905 4.968 -8.269 1.00 0.00 N ATOM 783 CA GLN A 54 6.396 4.704 -9.617 1.00 0.00 C ATOM 784 C GLN A 54 5.796 3.417 -10.173 1.00 0.00 C ATOM 785 O GLN A 54 5.915 2.352 -9.566 1.00 0.00 O ATOM 786 CB GLN A 54 7.923 4.612 -9.618 1.00 0.00 C ATOM 787 CG GLN A 54 8.536 4.695 -11.006 1.00 0.00 C ATOM 788 CD GLN A 54 8.689 3.336 -11.659 1.00 0.00 C ATOM 789 OE1 GLN A 54 7.664 2.910 -12.388 1.00 0.00 O flip ATOM 790 NE2 GLN A 54 9.718 2.675 -11.510 1.00 0.00 N flip ATOM 0 H GLN A 54 6.352 4.411 -7.541 1.00 0.00 H new ATOM 0 HA GLN A 54 6.089 5.532 -10.257 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.328 5.416 -9.003 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.222 3.673 -9.153 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.913 5.329 -11.637 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.513 5.174 -10.939 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.481 3.041 -10.941 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.807 1.762 -11.956 1.00 0.00 H new ATOM 799 N VAL A 55 5.151 3.522 -11.331 1.00 0.00 N ATOM 800 CA VAL A 55 4.534 2.366 -11.969 1.00 0.00 C ATOM 801 C VAL A 55 5.088 2.151 -13.373 1.00 0.00 C ATOM 802 O VAL A 55 5.283 3.105 -14.126 1.00 0.00 O ATOM 803 CB VAL A 55 3.003 2.521 -12.051 1.00 0.00 C ATOM 804 CG1 VAL A 55 2.380 2.407 -10.668 1.00 0.00 C ATOM 805 CG2 VAL A 55 2.637 3.846 -12.703 1.00 0.00 C ATOM 0 H VAL A 55 5.043 4.396 -11.846 1.00 0.00 H new ATOM 0 HA VAL A 55 4.772 1.500 -11.352 1.00 0.00 H new ATOM 0 HB VAL A 55 2.605 1.716 -12.669 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.299 2.519 -10.746 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.614 1.431 -10.243 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.780 3.189 -10.023 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.552 3.939 -12.753 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.045 4.667 -12.113 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.051 3.882 -13.711 1.00 0.00 H new ATOM 815 N ALA A 56 5.339 0.893 -13.718 1.00 0.00 N ATOM 816 CA ALA A 56 5.869 0.553 -15.033 1.00 0.00 C ATOM 817 C ALA A 56 4.752 0.134 -15.983 1.00 0.00 C ATOM 818 O ALA A 56 4.304 -1.013 -15.962 1.00 0.00 O ATOM 819 CB ALA A 56 6.906 -0.554 -14.914 1.00 0.00 C ATOM 0 H ALA A 56 5.184 0.092 -13.106 1.00 0.00 H new ATOM 0 HA ALA A 56 6.348 1.441 -15.446 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.293 -0.798 -15.903 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.724 -0.219 -14.276 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.444 -1.439 -14.477 1.00 0.00 H new ATOM 825 N SER A 57 4.307 1.069 -16.815 1.00 0.00 N ATOM 826 CA SER A 57 3.239 0.798 -17.770 1.00 0.00 C ATOM 827 C SER A 57 3.458 -0.543 -18.463 1.00 0.00 C ATOM 828 O SER A 57 4.512 -0.785 -19.054 1.00 0.00 O ATOM 829 CB SER A 57 3.160 1.916 -18.811 1.00 0.00 C ATOM 830 OG SER A 57 2.941 3.173 -18.194 1.00 0.00 O ATOM 0 H SER A 57 4.670 2.022 -16.847 1.00 0.00 H new ATOM 0 HA SER A 57 2.298 0.755 -17.222 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.085 1.946 -19.387 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.353 1.707 -19.513 1.00 0.00 H new ATOM 0 HG SER A 57 2.896 3.871 -18.880 1.00 0.00 H new ATOM 836 N LEU A 58 2.456 -1.412 -18.388 1.00 0.00 N ATOM 837 CA LEU A 58 2.538 -2.730 -19.008 1.00 0.00 C ATOM 838 C LEU A 58 2.165 -2.661 -20.485 1.00 0.00 C ATOM 839 O LEU A 58 1.412 -3.495 -20.985 1.00 0.00 O ATOM 840 CB LEU A 58 1.617 -3.714 -18.284 1.00 0.00 C ATOM 841 CG LEU A 58 1.787 -3.801 -16.767 1.00 0.00 C ATOM 842 CD1 LEU A 58 0.870 -4.866 -16.186 1.00 0.00 C ATOM 843 CD2 LEU A 58 3.238 -4.091 -16.409 1.00 0.00 C ATOM 0 H LEU A 58 1.577 -1.228 -17.904 1.00 0.00 H new ATOM 0 HA LEU A 58 3.568 -3.078 -18.928 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.584 -3.439 -18.499 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.777 -4.707 -18.705 1.00 0.00 H new ATOM 0 HG LEU A 58 1.511 -2.839 -16.335 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.006 -4.913 -15.105 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.167 -4.616 -16.411 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.113 -5.834 -16.624 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.341 -4.150 -15.325 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.540 -5.039 -16.854 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.874 -3.292 -16.791 1.00 0.00 H new ATOM 855 N ASN A 59 2.701 -1.662 -21.179 1.00 0.00 N ATOM 856 CA ASN A 59 2.427 -1.485 -22.600 1.00 0.00 C ATOM 857 C ASN A 59 3.691 -1.689 -23.428 1.00 0.00 C ATOM 858 O ASN A 59 4.785 -1.839 -22.883 1.00 0.00 O ATOM 859 CB ASN A 59 1.853 -0.090 -22.860 1.00 0.00 C ATOM 860 CG ASN A 59 0.417 0.041 -22.393 1.00 0.00 C ATOM 861 OD1 ASN A 59 -0.496 0.220 -23.199 1.00 0.00 O ATOM 862 ND2 ASN A 59 0.210 -0.047 -21.084 1.00 0.00 N ATOM 0 H ASN A 59 3.328 -0.963 -20.780 1.00 0.00 H new ATOM 0 HA ASN A 59 1.694 -2.234 -22.899 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.467 0.653 -22.351 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.907 0.129 -23.926 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.736 0.034 -20.711 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.997 -0.196 -20.452 1.00 0.00 H new ATOM 869 N ASP A 60 3.534 -1.694 -24.747 1.00 0.00 N ATOM 870 CA ASP A 60 4.663 -1.879 -25.652 1.00 0.00 C ATOM 871 C ASP A 60 4.841 -0.662 -26.554 1.00 0.00 C ATOM 872 O ASP A 60 4.269 -0.596 -27.643 1.00 0.00 O ATOM 873 CB ASP A 60 4.464 -3.135 -26.501 1.00 0.00 C ATOM 874 CG ASP A 60 5.732 -3.557 -27.217 1.00 0.00 C ATOM 875 OD1 ASP A 60 6.027 -2.985 -28.288 1.00 0.00 O ATOM 876 OD2 ASP A 60 6.429 -4.458 -26.707 1.00 0.00 O ATOM 0 H ASP A 60 2.635 -1.572 -25.214 1.00 0.00 H new ATOM 0 HA ASP A 60 5.564 -1.997 -25.050 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.122 -3.950 -25.864 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.679 -2.953 -27.235 1.00 0.00 H new ATOM 881 N ARG A 61 5.636 0.299 -26.095 1.00 0.00 N ATOM 882 CA ARG A 61 5.886 1.514 -26.860 1.00 0.00 C ATOM 883 C ARG A 61 6.969 2.360 -26.196 1.00 0.00 C ATOM 884 O ARG A 61 7.334 2.128 -25.043 1.00 0.00 O ATOM 885 CB ARG A 61 4.600 2.330 -26.998 1.00 0.00 C ATOM 886 CG ARG A 61 4.580 3.234 -28.220 1.00 0.00 C ATOM 887 CD ARG A 61 3.184 3.770 -28.494 1.00 0.00 C ATOM 888 NE ARG A 61 3.202 4.893 -29.427 1.00 0.00 N ATOM 889 CZ ARG A 61 3.350 4.755 -30.740 1.00 0.00 C ATOM 890 NH1 ARG A 61 3.492 3.548 -31.271 1.00 0.00 N ATOM 891 NH2 ARG A 61 3.357 5.825 -31.525 1.00 0.00 N ATOM 0 H ARG A 61 6.118 0.259 -25.197 1.00 0.00 H new ATOM 0 HA ARG A 61 6.232 1.224 -27.852 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.751 1.648 -27.047 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.469 2.939 -26.104 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.267 4.066 -28.069 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.935 2.681 -29.089 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.562 2.972 -28.900 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.726 4.085 -27.556 1.00 0.00 H new ATOM 0 HE ARG A 61 3.095 5.835 -29.050 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.488 2.723 -30.671 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.605 3.445 -32.279 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.249 6.755 -31.120 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.471 5.717 -32.533 1.00 0.00 H new ATOM 905 N PHE A 62 7.478 3.343 -26.932 1.00 0.00 N ATOM 906 CA PHE A 62 8.520 4.223 -26.415 1.00 0.00 C ATOM 907 C PHE A 62 8.090 4.861 -25.097 1.00 0.00 C ATOM 908 O PHE A 62 6.996 4.599 -24.598 1.00 0.00 O ATOM 909 CB PHE A 62 8.850 5.313 -27.438 1.00 0.00 C ATOM 910 CG PHE A 62 9.225 4.773 -28.789 1.00 0.00 C ATOM 911 CD1 PHE A 62 10.451 4.159 -28.988 1.00 0.00 C ATOM 912 CD2 PHE A 62 8.352 4.881 -29.859 1.00 0.00 C ATOM 913 CE1 PHE A 62 10.799 3.661 -30.229 1.00 0.00 C ATOM 914 CE2 PHE A 62 8.694 4.385 -31.103 1.00 0.00 C ATOM 915 CZ PHE A 62 9.920 3.775 -31.288 1.00 0.00 C ATOM 0 H PHE A 62 7.186 3.550 -27.887 1.00 0.00 H new ATOM 0 HA PHE A 62 9.411 3.622 -26.233 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.989 5.972 -27.545 1.00 0.00 H new ATOM 0 HB3 PHE A 62 9.671 5.921 -27.058 1.00 0.00 H new ATOM 0 HD1 PHE A 62 11.143 4.069 -28.164 1.00 0.00 H new ATOM 0 HD2 PHE A 62 7.393 5.358 -29.720 1.00 0.00 H new ATOM 0 HE1 PHE A 62 11.757 3.183 -30.371 1.00 0.00 H new ATOM 0 HE2 PHE A 62 8.004 4.474 -31.929 1.00 0.00 H new ATOM 0 HZ PHE A 62 10.190 3.388 -32.259 1.00 0.00 H new ATOM 925 N GLU A 63 8.960 5.697 -24.540 1.00 0.00 N ATOM 926 CA GLU A 63 8.670 6.370 -23.279 1.00 0.00 C ATOM 927 C GLU A 63 8.641 7.885 -23.465 1.00 0.00 C ATOM 928 O GLU A 63 7.842 8.583 -22.841 1.00 0.00 O ATOM 929 CB GLU A 63 9.713 5.995 -22.224 1.00 0.00 C ATOM 930 CG GLU A 63 9.306 6.366 -20.808 1.00 0.00 C ATOM 931 CD GLU A 63 10.498 6.643 -19.912 1.00 0.00 C ATOM 932 OE1 GLU A 63 11.595 6.125 -20.208 1.00 0.00 O ATOM 933 OE2 GLU A 63 10.334 7.376 -18.914 1.00 0.00 O ATOM 0 H GLU A 63 9.870 5.924 -24.941 1.00 0.00 H new ATOM 0 HA GLU A 63 7.687 6.044 -22.940 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.896 4.921 -22.271 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.654 6.489 -22.464 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.666 7.248 -20.837 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.715 5.556 -20.380 1.00 0.00 H new ATOM 940 N LYS A 64 9.518 8.386 -24.328 1.00 0.00 N ATOM 941 CA LYS A 64 9.594 9.816 -24.599 1.00 0.00 C ATOM 942 C LYS A 64 9.067 10.135 -25.994 1.00 0.00 C ATOM 943 O LYS A 64 9.809 10.085 -26.976 1.00 0.00 O ATOM 944 CB LYS A 64 11.038 10.306 -24.464 1.00 0.00 C ATOM 945 CG LYS A 64 11.205 11.790 -24.739 1.00 0.00 C ATOM 946 CD LYS A 64 10.919 12.622 -23.500 1.00 0.00 C ATOM 947 CE LYS A 64 10.619 14.070 -23.858 1.00 0.00 C ATOM 948 NZ LYS A 64 10.245 14.872 -22.660 1.00 0.00 N ATOM 0 H LYS A 64 10.187 7.822 -24.852 1.00 0.00 H new ATOM 0 HA LYS A 64 8.971 10.332 -23.868 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.394 10.090 -23.457 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.669 9.744 -25.152 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.221 11.985 -25.083 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.533 12.090 -25.543 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.072 12.196 -22.962 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.776 12.582 -22.828 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.493 14.515 -24.334 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.808 14.104 -24.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.048 15.852 -22.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.396 14.463 -22.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.029 14.861 -21.977 1.00 0.00 H new ATOM 962 N LEU A 65 7.783 10.464 -26.075 1.00 0.00 N ATOM 963 CA LEU A 65 7.156 10.793 -27.351 1.00 0.00 C ATOM 964 C LEU A 65 5.845 11.542 -27.137 1.00 0.00 C ATOM 965 O LEU A 65 5.464 11.837 -26.004 1.00 0.00 O ATOM 966 CB LEU A 65 6.903 9.520 -28.160 1.00 0.00 C ATOM 967 CG LEU A 65 5.885 8.542 -27.572 1.00 0.00 C ATOM 968 CD1 LEU A 65 5.867 8.638 -26.055 1.00 0.00 C ATOM 969 CD2 LEU A 65 4.499 8.808 -28.142 1.00 0.00 C ATOM 0 H LEU A 65 7.155 10.510 -25.272 1.00 0.00 H new ATOM 0 HA LEU A 65 7.836 11.440 -27.906 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.567 9.807 -29.156 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.851 8.997 -28.282 1.00 0.00 H new ATOM 0 HG LEU A 65 6.181 7.530 -27.848 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.137 7.935 -25.655 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.855 8.397 -25.663 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.596 9.651 -25.758 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.787 8.103 -27.712 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.194 9.825 -27.897 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.521 8.686 -29.225 1.00 0.00 H new ATOM 981 N LYS A 66 5.157 11.845 -28.232 1.00 0.00 N ATOM 982 CA LYS A 66 3.886 12.557 -28.166 1.00 0.00 C ATOM 983 C LYS A 66 2.828 11.717 -27.457 1.00 0.00 C ATOM 984 O LYS A 66 1.924 11.176 -28.094 1.00 0.00 O ATOM 985 CB LYS A 66 3.406 12.919 -29.573 1.00 0.00 C ATOM 986 CG LYS A 66 2.315 13.975 -29.591 1.00 0.00 C ATOM 987 CD LYS A 66 1.642 14.058 -30.951 1.00 0.00 C ATOM 988 CE LYS A 66 2.379 15.010 -31.881 1.00 0.00 C ATOM 989 NZ LYS A 66 3.499 14.334 -32.592 1.00 0.00 N ATOM 0 H LYS A 66 5.458 11.608 -29.177 1.00 0.00 H new ATOM 0 HA LYS A 66 4.041 13.473 -27.595 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.255 13.276 -30.157 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.037 12.019 -30.065 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.571 13.743 -28.829 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.742 14.945 -29.335 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.604 13.066 -31.400 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.612 14.392 -30.828 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.680 15.419 -32.610 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.768 15.851 -31.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.380 14.865 -32.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.609 13.367 -32.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.292 14.297 -33.611 1.00 0.00 H new ATOM 1003 N GLN A 67 2.948 11.613 -26.138 1.00 0.00 N ATOM 1004 CA GLN A 67 2.001 10.839 -25.344 1.00 0.00 C ATOM 1005 C GLN A 67 1.356 11.706 -24.268 1.00 0.00 C ATOM 1006 O GLN A 67 1.792 12.830 -24.016 1.00 0.00 O ATOM 1007 CB GLN A 67 2.702 9.642 -24.699 1.00 0.00 C ATOM 1008 CG GLN A 67 1.800 8.431 -24.523 1.00 0.00 C ATOM 1009 CD GLN A 67 1.086 8.424 -23.186 1.00 0.00 C ATOM 1010 OE1 GLN A 67 -0.126 8.629 -23.115 1.00 0.00 O ATOM 1011 NE2 GLN A 67 1.836 8.188 -22.115 1.00 0.00 N ATOM 0 H GLN A 67 3.691 12.055 -25.596 1.00 0.00 H new ATOM 0 HA GLN A 67 1.218 10.477 -26.010 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.559 9.360 -25.311 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.090 9.940 -23.725 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.062 8.413 -25.325 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.395 7.523 -24.617 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.837 8.023 -22.220 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.411 8.172 -21.188 1.00 0.00 H new ATOM 1020 N THR A 68 0.314 11.177 -23.634 1.00 0.00 N ATOM 1021 CA THR A 68 -0.392 11.903 -22.586 1.00 0.00 C ATOM 1022 C THR A 68 0.431 11.959 -21.305 1.00 0.00 C ATOM 1023 O THR A 68 0.380 11.045 -20.481 1.00 0.00 O ATOM 1024 CB THR A 68 -1.757 11.259 -22.278 1.00 0.00 C ATOM 1025 OG1 THR A 68 -1.567 9.978 -21.667 1.00 0.00 O ATOM 1026 CG2 THR A 68 -2.581 11.104 -23.547 1.00 0.00 C ATOM 0 H THR A 68 -0.060 10.248 -23.828 1.00 0.00 H new ATOM 0 HA THR A 68 -0.551 12.916 -22.956 1.00 0.00 H new ATOM 0 HB THR A 68 -2.296 11.912 -21.592 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.248 9.339 -22.338 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.540 10.647 -23.304 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.748 12.084 -23.994 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.045 10.470 -24.253 1.00 0.00 H new ATOM 1034 N LEU A 69 1.191 13.037 -21.142 1.00 0.00 N ATOM 1035 CA LEU A 69 2.026 13.212 -19.959 1.00 0.00 C ATOM 1036 C LEU A 69 1.197 13.698 -18.774 1.00 0.00 C ATOM 1037 O LEU A 69 1.102 13.019 -17.752 1.00 0.00 O ATOM 1038 CB LEU A 69 3.153 14.205 -20.249 1.00 0.00 C ATOM 1039 CG LEU A 69 4.223 13.736 -21.235 1.00 0.00 C ATOM 1040 CD1 LEU A 69 4.909 14.928 -21.885 1.00 0.00 C ATOM 1041 CD2 LEU A 69 5.242 12.848 -20.536 1.00 0.00 C ATOM 0 H LEU A 69 1.246 13.802 -21.814 1.00 0.00 H new ATOM 0 HA LEU A 69 2.459 12.245 -19.703 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.711 15.124 -20.634 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.640 14.456 -19.307 1.00 0.00 H new ATOM 0 HG LEU A 69 3.738 13.151 -22.016 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.667 14.575 -22.584 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.171 15.524 -22.421 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.381 15.540 -21.116 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.995 12.524 -21.254 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.722 13.408 -19.733 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.739 11.975 -20.119 1.00 0.00 H new ATOM 1053 N GLU A 70 0.599 14.876 -18.920 1.00 0.00 N ATOM 1054 CA GLU A 70 -0.223 15.451 -17.862 1.00 0.00 C ATOM 1055 C GLU A 70 0.381 15.170 -16.490 1.00 0.00 C ATOM 1056 O GLU A 70 -0.337 14.922 -15.522 1.00 0.00 O ATOM 1057 CB GLU A 70 -1.646 14.891 -17.929 1.00 0.00 C ATOM 1058 CG GLU A 70 -1.733 13.409 -17.604 1.00 0.00 C ATOM 1059 CD GLU A 70 -3.123 12.844 -17.823 1.00 0.00 C ATOM 1060 OE1 GLU A 70 -4.104 13.521 -17.452 1.00 0.00 O ATOM 1061 OE2 GLU A 70 -3.228 11.724 -18.365 1.00 0.00 O ATOM 0 H GLU A 70 0.668 15.450 -19.760 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.257 16.530 -18.011 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.278 15.444 -17.235 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.047 15.059 -18.928 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.021 12.863 -18.223 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.440 13.251 -16.566 1.00 0.00 H new ATOM 1068 N MET A 71 1.708 15.209 -16.415 1.00 0.00 N ATOM 1069 CA MET A 71 2.410 14.959 -15.161 1.00 0.00 C ATOM 1070 C MET A 71 1.704 15.647 -13.997 1.00 0.00 C ATOM 1071 O MET A 71 0.953 16.602 -14.191 1.00 0.00 O ATOM 1072 CB MET A 71 3.857 15.447 -15.256 1.00 0.00 C ATOM 1073 CG MET A 71 3.989 16.961 -15.245 1.00 0.00 C ATOM 1074 SD MET A 71 3.199 17.738 -16.668 1.00 0.00 S ATOM 1075 CE MET A 71 2.273 19.046 -15.868 1.00 0.00 C ATOM 0 H MET A 71 2.318 15.411 -17.207 1.00 0.00 H new ATOM 0 HA MET A 71 2.408 13.884 -14.980 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.426 15.035 -14.423 1.00 0.00 H new ATOM 0 HB3 MET A 71 4.304 15.058 -16.171 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.547 17.354 -14.329 1.00 0.00 H new ATOM 0 HG3 MET A 71 5.045 17.230 -15.229 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.178 19.893 -16.548 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.281 18.680 -15.604 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.796 19.362 -14.965 1.00 0.00 H new ATOM 1085 N ASN A 72 1.951 15.155 -12.787 1.00 0.00 N ATOM 1086 CA ASN A 72 1.339 15.722 -11.591 1.00 0.00 C ATOM 1087 C ASN A 72 2.362 16.507 -10.776 1.00 0.00 C ATOM 1088 O ASN A 72 2.096 17.628 -10.341 1.00 0.00 O ATOM 1089 CB ASN A 72 0.727 14.614 -10.732 1.00 0.00 C ATOM 1090 CG ASN A 72 0.084 13.523 -11.566 1.00 0.00 C ATOM 1091 OD1 ASN A 72 -0.595 13.801 -12.555 1.00 0.00 O ATOM 1092 ND2 ASN A 72 0.296 12.273 -11.170 1.00 0.00 N ATOM 0 H ASN A 72 2.571 14.365 -12.609 1.00 0.00 H new ATOM 0 HA ASN A 72 0.551 16.406 -11.906 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.502 14.177 -10.102 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.020 15.046 -10.066 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.111 11.497 -11.692 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.866 12.089 -10.344 1.00 0.00 H new ATOM 1099 N LEU A 73 3.532 15.911 -10.574 1.00 0.00 N ATOM 1100 CA LEU A 73 4.596 16.555 -9.811 1.00 0.00 C ATOM 1101 C LEU A 73 4.172 16.773 -8.363 1.00 0.00 C ATOM 1102 O LEU A 73 4.270 17.882 -7.836 1.00 0.00 O ATOM 1103 CB LEU A 73 4.972 17.892 -10.452 1.00 0.00 C ATOM 1104 CG LEU A 73 6.384 18.402 -10.161 1.00 0.00 C ATOM 1105 CD1 LEU A 73 7.396 17.719 -11.069 1.00 0.00 C ATOM 1106 CD2 LEU A 73 6.450 19.913 -10.327 1.00 0.00 C ATOM 0 H LEU A 73 3.768 14.984 -10.927 1.00 0.00 H new ATOM 0 HA LEU A 73 5.465 15.898 -9.820 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.856 17.800 -11.532 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.259 18.646 -10.118 1.00 0.00 H new ATOM 0 HG LEU A 73 6.632 18.159 -9.128 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.395 18.094 -10.848 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.367 16.642 -10.901 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.152 17.930 -12.110 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.462 20.258 -10.116 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.182 20.179 -11.349 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.754 20.386 -9.635 1.00 0.00 H new ATOM 1118 N THR A 74 3.703 15.707 -7.721 1.00 0.00 N ATOM 1119 CA THR A 74 3.266 15.782 -6.333 1.00 0.00 C ATOM 1120 C THR A 74 4.416 15.485 -5.378 1.00 0.00 C ATOM 1121 O THR A 74 4.270 14.704 -4.439 1.00 0.00 O ATOM 1122 CB THR A 74 2.114 14.798 -6.053 1.00 0.00 C ATOM 1123 OG1 THR A 74 2.526 13.462 -6.363 1.00 0.00 O ATOM 1124 CG2 THR A 74 0.884 15.158 -6.872 1.00 0.00 C ATOM 0 H THR A 74 3.616 14.781 -8.141 1.00 0.00 H new ATOM 0 HA THR A 74 2.913 16.800 -6.167 1.00 0.00 H new ATOM 0 HB THR A 74 1.858 14.863 -4.995 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.789 12.842 -6.181 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.084 14.449 -6.658 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.556 16.165 -6.613 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.129 15.118 -7.933 1.00 0.00 H new ATOM 1132 N ASN A 75 5.560 16.116 -5.622 1.00 0.00 N ATOM 1133 CA ASN A 75 6.736 15.919 -4.783 1.00 0.00 C ATOM 1134 C ASN A 75 6.378 16.048 -3.305 1.00 0.00 C ATOM 1135 O ASN A 75 5.967 17.114 -2.846 1.00 0.00 O ATOM 1136 CB ASN A 75 7.823 16.933 -5.145 1.00 0.00 C ATOM 1137 CG ASN A 75 7.566 18.298 -4.537 1.00 0.00 C ATOM 1138 OD1 ASN A 75 6.811 19.102 -5.084 1.00 0.00 O ATOM 1139 ND2 ASN A 75 8.196 18.567 -3.399 1.00 0.00 N ATOM 0 H ASN A 75 5.697 16.768 -6.394 1.00 0.00 H new ATOM 0 HA ASN A 75 7.113 14.912 -4.961 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.790 16.563 -4.804 1.00 0.00 H new ATOM 0 HB3 ASN A 75 7.882 17.027 -6.229 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.063 19.470 -2.943 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.813 17.871 -2.981 1.00 0.00 H new ATOM 1146 N LEU A 76 6.536 14.955 -2.567 1.00 0.00 N ATOM 1147 CA LEU A 76 6.230 14.945 -1.140 1.00 0.00 C ATOM 1148 C LEU A 76 7.031 13.867 -0.419 1.00 0.00 C ATOM 1149 O LEU A 76 7.022 12.701 -0.816 1.00 0.00 O ATOM 1150 CB LEU A 76 4.733 14.717 -0.922 1.00 0.00 C ATOM 1151 CG LEU A 76 4.302 14.425 0.516 1.00 0.00 C ATOM 1152 CD1 LEU A 76 4.435 15.671 1.377 1.00 0.00 C ATOM 1153 CD2 LEU A 76 2.873 13.903 0.549 1.00 0.00 C ATOM 0 H LEU A 76 6.874 14.065 -2.932 1.00 0.00 H new ATOM 0 HA LEU A 76 6.508 15.915 -0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.197 15.600 -1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.417 13.885 -1.551 1.00 0.00 H new ATOM 0 HG LEU A 76 4.959 13.656 0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.124 15.444 2.397 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.473 16.002 1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.803 16.462 0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.583 13.701 1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.203 14.650 0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.808 12.984 -0.033 1.00 0.00 H new ATOM 1165 N VAL A 77 7.723 14.263 0.645 1.00 0.00 N ATOM 1166 CA VAL A 77 8.528 13.329 1.424 1.00 0.00 C ATOM 1167 C VAL A 77 7.821 12.943 2.719 1.00 0.00 C ATOM 1168 O VAL A 77 7.202 13.780 3.375 1.00 0.00 O ATOM 1169 CB VAL A 77 9.907 13.925 1.764 1.00 0.00 C ATOM 1170 CG1 VAL A 77 10.709 12.959 2.622 1.00 0.00 C ATOM 1171 CG2 VAL A 77 10.663 14.275 0.491 1.00 0.00 C ATOM 0 H VAL A 77 7.742 15.224 0.987 1.00 0.00 H new ATOM 0 HA VAL A 77 8.666 12.440 0.809 1.00 0.00 H new ATOM 0 HB VAL A 77 9.758 14.842 2.335 1.00 0.00 H new ATOM 0 HG11 VAL A 77 11.680 13.397 2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.171 12.763 3.549 1.00 0.00 H new ATOM 0 HG13 VAL A 77 10.852 12.024 2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 77 11.635 14.695 0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.804 13.375 -0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.092 15.006 -0.082 1.00 0.00 H new ATOM 1181 N LYS A 78 7.917 11.668 3.081 1.00 0.00 N ATOM 1182 CA LYS A 78 7.289 11.168 4.298 1.00 0.00 C ATOM 1183 C LYS A 78 8.338 10.831 5.353 1.00 0.00 C ATOM 1184 O LYS A 78 9.539 10.908 5.094 1.00 0.00 O ATOM 1185 CB LYS A 78 6.445 9.930 3.989 1.00 0.00 C ATOM 1186 CG LYS A 78 5.024 10.254 3.562 1.00 0.00 C ATOM 1187 CD LYS A 78 4.147 10.593 4.756 1.00 0.00 C ATOM 1188 CE LYS A 78 3.782 9.349 5.551 1.00 0.00 C ATOM 1189 NZ LYS A 78 3.539 9.661 6.987 1.00 0.00 N ATOM 0 H LYS A 78 8.424 10.962 2.548 1.00 0.00 H new ATOM 0 HA LYS A 78 6.642 11.952 4.692 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.931 9.357 3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.414 9.292 4.872 1.00 0.00 H new ATOM 0 HG2 LYS A 78 5.034 11.094 2.867 1.00 0.00 H new ATOM 0 HG3 LYS A 78 4.601 9.403 3.028 1.00 0.00 H new ATOM 0 HD2 LYS A 78 4.668 11.299 5.402 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.238 11.086 4.412 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.890 8.893 5.122 1.00 0.00 H new ATOM 0 HE3 LYS A 78 4.585 8.617 5.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.293 8.788 7.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.398 10.073 7.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.756 10.340 7.067 1.00 0.00 H new ATOM 1203 N SER A 79 7.877 10.455 6.541 1.00 0.00 N ATOM 1204 CA SER A 79 8.776 10.108 7.636 1.00 0.00 C ATOM 1205 C SER A 79 8.274 8.875 8.380 1.00 0.00 C ATOM 1206 O SER A 79 7.108 8.799 8.765 1.00 0.00 O ATOM 1207 CB SER A 79 8.910 11.284 8.605 1.00 0.00 C ATOM 1208 OG SER A 79 9.331 12.457 7.930 1.00 0.00 O ATOM 0 H SER A 79 6.886 10.383 6.770 1.00 0.00 H new ATOM 0 HA SER A 79 9.755 9.882 7.213 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.953 11.466 9.095 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.626 11.034 9.388 1.00 0.00 H new ATOM 0 HG SER A 79 9.407 13.194 8.571 1.00 0.00 H new ATOM 1214 N GLY A 80 9.166 7.909 8.580 1.00 0.00 N ATOM 1215 CA GLY A 80 8.796 6.691 9.278 1.00 0.00 C ATOM 1216 C GLY A 80 9.959 6.081 10.036 1.00 0.00 C ATOM 1217 O GLY A 80 10.940 6.753 10.355 1.00 0.00 O ATOM 0 H GLY A 80 10.137 7.948 8.271 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.986 6.907 9.974 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.414 5.966 8.559 1.00 0.00 H new ATOM 1221 N PRO A 81 9.856 4.778 10.337 1.00 0.00 N ATOM 1222 CA PRO A 81 10.898 4.050 11.066 1.00 0.00 C ATOM 1223 C PRO A 81 12.162 3.858 10.235 1.00 0.00 C ATOM 1224 O PRO A 81 12.179 3.076 9.285 1.00 0.00 O ATOM 1225 CB PRO A 81 10.243 2.698 11.364 1.00 0.00 C ATOM 1226 CG PRO A 81 9.215 2.532 10.298 1.00 0.00 C ATOM 1227 CD PRO A 81 8.715 3.916 9.987 1.00 0.00 C ATOM 0 HA PRO A 81 11.223 4.588 11.957 1.00 0.00 H new ATOM 0 HB2 PRO A 81 10.974 1.890 11.338 1.00 0.00 H new ATOM 0 HB3 PRO A 81 9.790 2.687 12.356 1.00 0.00 H new ATOM 0 HG2 PRO A 81 9.643 2.063 9.412 1.00 0.00 H new ATOM 0 HG3 PRO A 81 8.402 1.890 10.636 1.00 0.00 H new ATOM 0 HD2 PRO A 81 8.442 4.018 8.937 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.830 4.164 10.572 1.00 0.00 H new ATOM 1235 N SER A 82 13.218 4.577 10.600 1.00 0.00 N ATOM 1236 CA SER A 82 14.486 4.489 9.885 1.00 0.00 C ATOM 1237 C SER A 82 15.651 4.868 10.795 1.00 0.00 C ATOM 1238 O SER A 82 15.451 5.266 11.943 1.00 0.00 O ATOM 1239 CB SER A 82 14.468 5.399 8.656 1.00 0.00 C ATOM 1240 OG SER A 82 13.964 4.715 7.522 1.00 0.00 O ATOM 0 H SER A 82 13.221 5.227 11.386 1.00 0.00 H new ATOM 0 HA SER A 82 14.621 3.457 9.562 1.00 0.00 H new ATOM 0 HB2 SER A 82 13.853 6.276 8.858 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.477 5.757 8.450 1.00 0.00 H new ATOM 0 HG SER A 82 13.300 4.053 7.808 1.00 0.00 H new ATOM 1246 N SER A 83 16.867 4.740 10.274 1.00 0.00 N ATOM 1247 CA SER A 83 18.064 5.065 11.040 1.00 0.00 C ATOM 1248 C SER A 83 18.938 6.062 10.285 1.00 0.00 C ATOM 1249 O SER A 83 18.672 6.387 9.129 1.00 0.00 O ATOM 1250 CB SER A 83 18.863 3.795 11.341 1.00 0.00 C ATOM 1251 OG SER A 83 19.817 4.023 12.364 1.00 0.00 O ATOM 0 H SER A 83 17.049 4.414 9.325 1.00 0.00 H new ATOM 0 HA SER A 83 17.752 5.521 11.980 1.00 0.00 H new ATOM 0 HB2 SER A 83 18.184 2.998 11.644 1.00 0.00 H new ATOM 0 HB3 SER A 83 19.369 3.457 10.437 1.00 0.00 H new ATOM 0 HG SER A 83 20.313 3.196 12.539 1.00 0.00 H new ATOM 1257 N GLY A 84 19.984 6.545 10.950 1.00 0.00 N ATOM 1258 CA GLY A 84 20.881 7.501 10.327 1.00 0.00 C ATOM 1259 C GLY A 84 21.988 6.829 9.539 1.00 0.00 C ATOM 1260 O GLY A 84 22.055 5.600 9.530 1.00 0.00 O ATOM 0 H GLY A 84 20.226 6.291 11.908 1.00 0.00 H new ATOM 0 HA2 GLY A 84 20.310 8.151 9.664 1.00 0.00 H new ATOM 0 HA3 GLY A 84 21.321 8.136 11.096 1.00 0.00 H new TER 1264 GLY A 84 HETATM 1265 ZN ZN A 201 -7.150 -0.889 -7.990 1.00 0.00 ZN HETATM 1266 ZN ZN A 401 2.649 1.831 -4.914 1.00 0.00 ZN