USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 894 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 102 HIS : no HD1:sc= -1.57 K(o=-3.2,f=-12!) USER MOD Set 1.2: A 105 LYS NZ :NH3+ 156:sc= -1.65 (180deg=-3.68!) USER MOD Single : A 1 MET CE :methyl -148:sc= -0.26 (180deg=-1.44!) USER MOD Single : A 1 MET N :NH3+ -139:sc= -0.475 (180deg=-1.06) USER MOD Single : A 7 SER OG : rot 180:sc= -0.0555 USER MOD Single : A 8 THR OG1 : rot -150:sc= -0.463 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 21 THR OG1 : rot -81:sc= 0.314 USER MOD Single : A 22 GLN : amide:sc= -3.62! C(o=-3.6!,f=-3.6!) USER MOD Single : A 23 ASN : amide:sc= -0.0492 K(o=-0.049,f=-1.5!) USER MOD Single : A 24 GLN : amide:sc= -1.99! C(o=-2!,f=-7.3!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.9!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0149 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= -0.154 USER MOD Single : A 38 ASN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc=-0.00473! USER MOD Single : A 43 MET CE :methyl -155:sc= -0.268 (180deg=-1.77!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 142:sc= -0.223 USER MOD Single : A 53 ASN : amide:sc= -0.0418 K(o=-0.042,f=-2.1!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -1.2 X(o=-1.2,f=-1.5!) USER MOD Single : A 66 MET CE :methyl -173:sc= -0.675 (180deg=-0.942) USER MOD Single : A 68 SER OG : rot 74:sc= 0.323 USER MOD Single : A 73 HIS : no HD1:sc= -0.223 K(o=-0.22,f=-3.6!) USER MOD Single : A 74 LYS NZ :NH3+ -118:sc= -0.469 (180deg=-1.91!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 81 SER OG : rot 179:sc= 0 USER MOD Single : A 82 SER OG : rot -28:sc= 0.699 USER MOD Single : A 84 HIS : no HD1:sc= -4.62! C(o=-4.6!,f=-6.1!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -106:sc= 1.02 (180deg=-2.15) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 97 LYS NZ :NH3+ 138:sc= -0.0644 (180deg=-0.619) USER MOD Single : A 104 LYS NZ :NH3+ -114:sc= -0.688 (180deg=-2.23!) USER MOD Single : A 113 ASN : amide:sc=-0.00859 K(o=-0.0086,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.632 7.379 13.377 1.00 0.00 N ATOM 2 CA MET A 1 21.627 6.280 13.320 1.00 0.00 C ATOM 3 C MET A 1 20.268 6.846 12.902 1.00 0.00 C ATOM 4 O MET A 1 19.246 6.521 13.474 1.00 0.00 O ATOM 5 CB MET A 1 21.509 5.626 14.698 1.00 0.00 C ATOM 6 CG MET A 1 22.868 5.053 15.106 1.00 0.00 C ATOM 7 SD MET A 1 23.265 3.632 14.054 1.00 0.00 S ATOM 8 CE MET A 1 21.985 2.505 14.666 1.00 0.00 C ATOM 0 H1 MET A 1 23.533 7.047 12.977 1.00 0.00 H new ATOM 0 H2 MET A 1 22.288 8.193 12.828 1.00 0.00 H new ATOM 0 H3 MET A 1 22.777 7.666 14.366 1.00 0.00 H new ATOM 0 HA MET A 1 21.946 5.535 12.591 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.175 6.358 15.433 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.760 4.834 14.674 1.00 0.00 H new ATOM 0 HG2 MET A 1 23.640 5.817 15.011 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.847 4.750 16.153 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.350 1.479 14.617 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.743 2.755 15.699 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.091 2.602 14.051 1.00 0.00 H new ATOM 20 N GLY A 2 20.247 7.687 11.904 1.00 0.00 N ATOM 21 CA GLY A 2 18.954 8.271 11.445 1.00 0.00 C ATOM 22 C GLY A 2 18.159 7.211 10.674 1.00 0.00 C ATOM 23 O GLY A 2 18.660 6.140 10.393 1.00 0.00 O ATOM 0 H GLY A 2 21.070 7.995 11.386 1.00 0.00 H new ATOM 0 HA2 GLY A 2 18.377 8.622 12.301 1.00 0.00 H new ATOM 0 HA3 GLY A 2 19.139 9.136 10.809 1.00 0.00 H new ATOM 27 N PRO A 3 16.926 7.503 10.332 1.00 0.00 N ATOM 28 CA PRO A 3 16.083 6.535 9.581 1.00 0.00 C ATOM 29 C PRO A 3 16.865 5.855 8.449 1.00 0.00 C ATOM 30 O PRO A 3 17.971 6.245 8.131 1.00 0.00 O ATOM 31 CB PRO A 3 14.958 7.439 9.047 1.00 0.00 C ATOM 32 CG PRO A 3 14.972 8.749 9.864 1.00 0.00 C ATOM 33 CD PRO A 3 16.292 8.810 10.659 1.00 0.00 C ATOM 0 HA PRO A 3 15.722 5.704 10.187 1.00 0.00 H new ATOM 0 HB2 PRO A 3 15.108 7.649 7.988 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.993 6.942 9.140 1.00 0.00 H new ATOM 0 HG2 PRO A 3 14.888 9.610 9.202 1.00 0.00 H new ATOM 0 HG3 PRO A 3 14.119 8.783 10.542 1.00 0.00 H new ATOM 0 HD2 PRO A 3 16.913 9.651 10.350 1.00 0.00 H new ATOM 0 HD3 PRO A 3 16.116 8.919 11.729 1.00 0.00 H new ATOM 41 N VAL A 4 16.310 4.840 7.843 1.00 0.00 N ATOM 42 CA VAL A 4 17.041 4.146 6.748 1.00 0.00 C ATOM 43 C VAL A 4 16.909 4.965 5.447 1.00 0.00 C ATOM 44 O VAL A 4 15.903 5.611 5.231 1.00 0.00 O ATOM 45 CB VAL A 4 16.438 2.754 6.546 1.00 0.00 C ATOM 46 CG1 VAL A 4 16.814 1.859 7.727 1.00 0.00 C ATOM 47 CG2 VAL A 4 14.913 2.862 6.460 1.00 0.00 C ATOM 0 H VAL A 4 15.387 4.464 8.058 1.00 0.00 H new ATOM 0 HA VAL A 4 18.095 4.051 7.008 1.00 0.00 H new ATOM 0 HB VAL A 4 16.826 2.324 5.622 1.00 0.00 H new ATOM 0 HG11 VAL A 4 16.385 0.868 7.583 1.00 0.00 H new ATOM 0 HG12 VAL A 4 17.899 1.779 7.792 1.00 0.00 H new ATOM 0 HG13 VAL A 4 16.427 2.292 8.649 1.00 0.00 H new ATOM 0 HG21 VAL A 4 14.486 1.870 6.316 1.00 0.00 H new ATOM 0 HG22 VAL A 4 14.526 3.293 7.383 1.00 0.00 H new ATOM 0 HG23 VAL A 4 14.640 3.500 5.619 1.00 0.00 H new ATOM 57 N PRO A 5 17.909 4.953 4.582 1.00 0.00 N ATOM 58 CA PRO A 5 17.832 5.734 3.312 1.00 0.00 C ATOM 59 C PRO A 5 16.516 5.469 2.545 1.00 0.00 C ATOM 60 O PRO A 5 15.766 4.580 2.892 1.00 0.00 O ATOM 61 CB PRO A 5 19.066 5.231 2.530 1.00 0.00 C ATOM 62 CG PRO A 5 19.876 4.283 3.442 1.00 0.00 C ATOM 63 CD PRO A 5 19.163 4.178 4.801 1.00 0.00 C ATOM 0 HA PRO A 5 17.833 6.812 3.472 1.00 0.00 H new ATOM 0 HB2 PRO A 5 18.754 4.710 1.625 1.00 0.00 H new ATOM 0 HB3 PRO A 5 19.683 6.073 2.216 1.00 0.00 H new ATOM 0 HG2 PRO A 5 19.961 3.298 2.983 1.00 0.00 H new ATOM 0 HG3 PRO A 5 20.890 4.661 3.575 1.00 0.00 H new ATOM 0 HD2 PRO A 5 18.956 3.142 5.069 1.00 0.00 H new ATOM 0 HD3 PRO A 5 19.764 4.601 5.606 1.00 0.00 H new ATOM 71 N PRO A 6 16.235 6.240 1.513 1.00 0.00 N ATOM 72 CA PRO A 6 14.979 6.054 0.723 1.00 0.00 C ATOM 73 C PRO A 6 14.970 4.743 -0.079 1.00 0.00 C ATOM 74 O PRO A 6 14.046 3.958 0.001 1.00 0.00 O ATOM 75 CB PRO A 6 15.002 7.275 -0.218 1.00 0.00 C ATOM 76 CG PRO A 6 16.422 7.866 -0.195 1.00 0.00 C ATOM 77 CD PRO A 6 17.136 7.342 1.062 1.00 0.00 C ATOM 0 HA PRO A 6 14.092 5.988 1.354 1.00 0.00 H new ATOM 0 HB2 PRO A 6 14.728 6.981 -1.231 1.00 0.00 H new ATOM 0 HB3 PRO A 6 14.274 8.019 0.105 1.00 0.00 H new ATOM 0 HG2 PRO A 6 16.969 7.577 -1.092 1.00 0.00 H new ATOM 0 HG3 PRO A 6 16.381 8.955 -0.184 1.00 0.00 H new ATOM 0 HD2 PRO A 6 18.139 6.979 0.837 1.00 0.00 H new ATOM 0 HD3 PRO A 6 17.240 8.117 1.822 1.00 0.00 H new ATOM 85 N SER A 7 15.985 4.517 -0.862 1.00 0.00 N ATOM 86 CA SER A 7 16.037 3.276 -1.687 1.00 0.00 C ATOM 87 C SER A 7 16.058 2.044 -0.781 1.00 0.00 C ATOM 88 O SER A 7 15.472 1.026 -1.091 1.00 0.00 O ATOM 89 CB SER A 7 17.298 3.292 -2.551 1.00 0.00 C ATOM 90 OG SER A 7 18.439 3.121 -1.720 1.00 0.00 O ATOM 0 H SER A 7 16.786 5.140 -0.968 1.00 0.00 H new ATOM 0 HA SER A 7 15.154 3.235 -2.325 1.00 0.00 H new ATOM 0 HB2 SER A 7 17.253 2.497 -3.295 1.00 0.00 H new ATOM 0 HB3 SER A 7 17.368 4.234 -3.095 1.00 0.00 H new ATOM 0 HG SER A 7 19.249 3.129 -2.271 1.00 0.00 H new ATOM 96 N THR A 8 16.732 2.121 0.330 1.00 0.00 N ATOM 97 CA THR A 8 16.790 0.944 1.241 1.00 0.00 C ATOM 98 C THR A 8 15.400 0.669 1.821 1.00 0.00 C ATOM 99 O THR A 8 14.986 -0.466 1.952 1.00 0.00 O ATOM 100 CB THR A 8 17.774 1.228 2.377 1.00 0.00 C ATOM 101 OG1 THR A 8 19.061 1.471 1.829 1.00 0.00 O ATOM 102 CG2 THR A 8 17.833 0.025 3.317 1.00 0.00 C ATOM 0 H THR A 8 17.244 2.944 0.647 1.00 0.00 H new ATOM 0 HA THR A 8 17.123 0.070 0.681 1.00 0.00 H new ATOM 0 HB THR A 8 17.445 2.103 2.937 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.748 1.188 2.468 1.00 0.00 H new ATOM 0 HG21 THR A 8 18.535 0.229 4.126 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.843 -0.160 3.734 1.00 0.00 H new ATOM 0 HG23 THR A 8 18.164 -0.854 2.763 1.00 0.00 H new ATOM 110 N ALA A 9 14.676 1.696 2.166 1.00 0.00 N ATOM 111 CA ALA A 9 13.314 1.496 2.733 1.00 0.00 C ATOM 112 C ALA A 9 12.431 0.782 1.708 1.00 0.00 C ATOM 113 O ALA A 9 11.684 -0.119 2.034 1.00 0.00 O ATOM 114 CB ALA A 9 12.701 2.860 3.063 1.00 0.00 C ATOM 0 H ALA A 9 14.970 2.669 2.079 1.00 0.00 H new ATOM 0 HA ALA A 9 13.382 0.892 3.638 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.703 2.720 3.479 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.328 3.374 3.791 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.635 3.458 2.154 1.00 0.00 H new ATOM 120 N LEU A 10 12.506 1.188 0.471 1.00 0.00 N ATOM 121 CA LEU A 10 11.669 0.547 -0.583 1.00 0.00 C ATOM 122 C LEU A 10 11.995 -0.946 -0.679 1.00 0.00 C ATOM 123 O LEU A 10 11.113 -1.781 -0.694 1.00 0.00 O ATOM 124 CB LEU A 10 11.953 1.223 -1.931 1.00 0.00 C ATOM 125 CG LEU A 10 11.104 0.585 -3.045 1.00 0.00 C ATOM 126 CD1 LEU A 10 9.613 0.870 -2.810 1.00 0.00 C ATOM 127 CD2 LEU A 10 11.534 1.174 -4.388 1.00 0.00 C ATOM 0 H LEU A 10 13.113 1.939 0.143 1.00 0.00 H new ATOM 0 HA LEU A 10 10.616 0.662 -0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.733 2.288 -1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 10 13.011 1.131 -2.175 1.00 0.00 H new ATOM 0 HG LEU A 10 11.255 -0.495 -3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.025 0.413 -3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.310 0.453 -1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.444 1.947 -2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.940 0.730 -5.187 1.00 0.00 H new ATOM 0 HD22 LEU A 10 11.380 2.253 -4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.589 0.959 -4.558 1.00 0.00 H new ATOM 139 N ARG A 11 13.250 -1.290 -0.770 1.00 0.00 N ATOM 140 CA ARG A 11 13.614 -2.731 -0.895 1.00 0.00 C ATOM 141 C ARG A 11 13.107 -3.494 0.326 1.00 0.00 C ATOM 142 O ARG A 11 12.529 -4.557 0.214 1.00 0.00 O ATOM 143 CB ARG A 11 15.133 -2.868 -0.971 1.00 0.00 C ATOM 144 CG ARG A 11 15.642 -2.278 -2.287 1.00 0.00 C ATOM 145 CD ARG A 11 17.161 -2.432 -2.349 1.00 0.00 C ATOM 146 NE ARG A 11 17.496 -3.882 -2.419 1.00 0.00 N ATOM 147 CZ ARG A 11 18.694 -4.263 -2.767 1.00 0.00 C ATOM 148 NH1 ARG A 11 19.613 -3.376 -3.031 1.00 0.00 N ATOM 149 NH2 ARG A 11 18.972 -5.535 -2.847 1.00 0.00 N ATOM 0 H ARG A 11 14.036 -0.640 -0.763 1.00 0.00 H new ATOM 0 HA ARG A 11 13.161 -3.139 -1.798 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.596 -2.354 -0.129 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.417 -3.918 -0.899 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.178 -2.787 -3.132 1.00 0.00 H new ATOM 0 HG3 ARG A 11 15.367 -1.226 -2.358 1.00 0.00 H new ATOM 0 HD2 ARG A 11 17.558 -1.911 -3.220 1.00 0.00 H new ATOM 0 HD3 ARG A 11 17.622 -1.980 -1.470 1.00 0.00 H new ATOM 0 HE ARG A 11 16.786 -4.579 -2.194 1.00 0.00 H new ATOM 0 HH11 ARG A 11 19.396 -2.382 -2.966 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.549 -3.677 -3.303 1.00 0.00 H new ATOM 0 HH21 ARG A 11 18.254 -6.228 -2.638 1.00 0.00 H new ATOM 0 HH22 ARG A 11 19.908 -5.836 -3.119 1.00 0.00 H new ATOM 163 N GLU A 12 13.313 -2.955 1.492 1.00 0.00 N ATOM 164 CA GLU A 12 12.840 -3.635 2.726 1.00 0.00 C ATOM 165 C GLU A 12 11.317 -3.773 2.676 1.00 0.00 C ATOM 166 O GLU A 12 10.756 -4.762 3.106 1.00 0.00 O ATOM 167 CB GLU A 12 13.259 -2.810 3.945 1.00 0.00 C ATOM 168 CG GLU A 12 14.777 -2.899 4.114 1.00 0.00 C ATOM 169 CD GLU A 12 15.231 -1.932 5.209 1.00 0.00 C ATOM 170 OE1 GLU A 12 14.382 -1.258 5.767 1.00 0.00 O ATOM 171 OE2 GLU A 12 16.422 -1.881 5.469 1.00 0.00 O ATOM 0 H GLU A 12 13.792 -2.067 1.644 1.00 0.00 H new ATOM 0 HA GLU A 12 13.282 -4.629 2.799 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.955 -1.771 3.818 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.759 -3.181 4.840 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.065 -3.918 4.373 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.272 -2.657 3.174 1.00 0.00 H new ATOM 178 N LEU A 13 10.644 -2.782 2.161 1.00 0.00 N ATOM 179 CA LEU A 13 9.157 -2.843 2.087 1.00 0.00 C ATOM 180 C LEU A 13 8.722 -3.891 1.055 1.00 0.00 C ATOM 181 O LEU A 13 7.829 -4.678 1.298 1.00 0.00 O ATOM 182 CB LEU A 13 8.636 -1.463 1.667 1.00 0.00 C ATOM 183 CG LEU A 13 7.104 -1.465 1.572 1.00 0.00 C ATOM 184 CD1 LEU A 13 6.487 -1.819 2.934 1.00 0.00 C ATOM 185 CD2 LEU A 13 6.635 -0.072 1.137 1.00 0.00 C ATOM 0 H LEU A 13 11.061 -1.930 1.787 1.00 0.00 H new ATOM 0 HA LEU A 13 8.751 -3.122 3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.959 -0.712 2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.064 -1.185 0.704 1.00 0.00 H new ATOM 0 HG LEU A 13 6.785 -2.210 0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.400 -1.817 2.853 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.826 -2.808 3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.797 -1.083 3.676 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.547 -0.060 1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.959 0.666 1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.065 0.170 0.165 1.00 0.00 H new ATOM 197 N ILE A 14 9.339 -3.908 -0.094 1.00 0.00 N ATOM 198 CA ILE A 14 8.949 -4.906 -1.134 1.00 0.00 C ATOM 199 C ILE A 14 9.185 -6.327 -0.610 1.00 0.00 C ATOM 200 O ILE A 14 8.364 -7.207 -0.778 1.00 0.00 O ATOM 201 CB ILE A 14 9.782 -4.676 -2.400 1.00 0.00 C ATOM 202 CG1 ILE A 14 9.381 -3.340 -3.034 1.00 0.00 C ATOM 203 CG2 ILE A 14 9.523 -5.808 -3.399 1.00 0.00 C ATOM 204 CD1 ILE A 14 10.369 -2.979 -4.145 1.00 0.00 C ATOM 0 H ILE A 14 10.095 -3.276 -0.359 1.00 0.00 H new ATOM 0 HA ILE A 14 7.891 -4.786 -1.368 1.00 0.00 H new ATOM 0 HB ILE A 14 10.840 -4.657 -2.139 1.00 0.00 H new ATOM 0 HG12 ILE A 14 8.372 -3.407 -3.440 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.368 -2.556 -2.277 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.116 -5.642 -4.298 1.00 0.00 H new ATOM 0 HG22 ILE A 14 9.803 -6.761 -2.950 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.465 -5.827 -3.661 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.081 -2.028 -4.594 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.372 -2.893 -3.726 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.359 -3.758 -4.908 1.00 0.00 H new ATOM 216 N GLU A 15 10.310 -6.561 0.007 1.00 0.00 N ATOM 217 CA GLU A 15 10.615 -7.926 0.524 1.00 0.00 C ATOM 218 C GLU A 15 9.561 -8.361 1.547 1.00 0.00 C ATOM 219 O GLU A 15 9.149 -9.504 1.579 1.00 0.00 O ATOM 220 CB GLU A 15 11.986 -7.905 1.202 1.00 0.00 C ATOM 221 CG GLU A 15 13.079 -7.733 0.145 1.00 0.00 C ATOM 222 CD GLU A 15 14.447 -7.696 0.827 1.00 0.00 C ATOM 223 OE1 GLU A 15 14.478 -7.647 2.046 1.00 0.00 O ATOM 224 OE2 GLU A 15 15.441 -7.715 0.119 1.00 0.00 O ATOM 0 H GLU A 15 11.034 -5.863 0.176 1.00 0.00 H new ATOM 0 HA GLU A 15 10.611 -8.629 -0.309 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.033 -7.090 1.924 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.144 -8.831 1.755 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.040 -8.554 -0.571 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.916 -6.813 -0.416 1.00 0.00 H new ATOM 231 N GLU A 16 9.136 -7.469 2.398 1.00 0.00 N ATOM 232 CA GLU A 16 8.129 -7.848 3.431 1.00 0.00 C ATOM 233 C GLU A 16 6.754 -8.081 2.795 1.00 0.00 C ATOM 234 O GLU A 16 6.075 -9.038 3.110 1.00 0.00 O ATOM 235 CB GLU A 16 8.025 -6.731 4.469 1.00 0.00 C ATOM 236 CG GLU A 16 7.088 -7.171 5.594 1.00 0.00 C ATOM 237 CD GLU A 16 7.151 -6.159 6.738 1.00 0.00 C ATOM 238 OE1 GLU A 16 7.874 -5.186 6.603 1.00 0.00 O ATOM 239 OE2 GLU A 16 6.471 -6.372 7.728 1.00 0.00 O ATOM 0 H GLU A 16 9.441 -6.496 2.424 1.00 0.00 H new ATOM 0 HA GLU A 16 8.451 -8.774 3.907 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.011 -6.500 4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.650 -5.820 4.003 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.067 -7.250 5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.374 -8.160 5.953 1.00 0.00 H new ATOM 246 N LEU A 17 6.328 -7.214 1.916 1.00 0.00 N ATOM 247 CA LEU A 17 4.987 -7.399 1.287 1.00 0.00 C ATOM 248 C LEU A 17 4.951 -8.716 0.508 1.00 0.00 C ATOM 249 O LEU A 17 3.975 -9.435 0.533 1.00 0.00 O ATOM 250 CB LEU A 17 4.702 -6.241 0.325 1.00 0.00 C ATOM 251 CG LEU A 17 4.592 -4.919 1.099 1.00 0.00 C ATOM 252 CD1 LEU A 17 4.478 -3.765 0.098 1.00 0.00 C ATOM 253 CD2 LEU A 17 3.353 -4.934 2.018 1.00 0.00 C ATOM 0 H LEU A 17 6.846 -6.391 1.608 1.00 0.00 H new ATOM 0 HA LEU A 17 4.231 -7.420 2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.498 -6.171 -0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.776 -6.430 -0.218 1.00 0.00 H new ATOM 0 HG LEU A 17 5.480 -4.790 1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.399 -2.821 0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.363 -3.746 -0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.590 -3.905 -0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.290 -3.990 2.559 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.455 -5.068 1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.438 -5.755 2.730 1.00 0.00 H new ATOM 265 N VAL A 18 6.002 -9.032 -0.193 1.00 0.00 N ATOM 266 CA VAL A 18 6.018 -10.296 -0.983 1.00 0.00 C ATOM 267 C VAL A 18 5.987 -11.506 -0.039 1.00 0.00 C ATOM 268 O VAL A 18 5.296 -12.473 -0.278 1.00 0.00 O ATOM 269 CB VAL A 18 7.292 -10.334 -1.835 1.00 0.00 C ATOM 270 CG1 VAL A 18 7.464 -11.718 -2.468 1.00 0.00 C ATOM 271 CG2 VAL A 18 7.194 -9.278 -2.938 1.00 0.00 C ATOM 0 H VAL A 18 6.851 -8.471 -0.254 1.00 0.00 H new ATOM 0 HA VAL A 18 5.141 -10.334 -1.629 1.00 0.00 H new ATOM 0 HB VAL A 18 8.153 -10.127 -1.199 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.372 -11.732 -3.071 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.538 -12.471 -1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.605 -11.938 -3.102 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.098 -9.302 -3.546 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.328 -9.488 -3.567 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.085 -8.291 -2.488 1.00 0.00 H new ATOM 281 N ASN A 19 6.743 -11.465 1.019 1.00 0.00 N ATOM 282 CA ASN A 19 6.775 -12.623 1.961 1.00 0.00 C ATOM 283 C ASN A 19 5.385 -12.902 2.550 1.00 0.00 C ATOM 284 O ASN A 19 4.969 -14.039 2.653 1.00 0.00 O ATOM 285 CB ASN A 19 7.746 -12.316 3.103 1.00 0.00 C ATOM 286 CG ASN A 19 7.783 -13.500 4.072 1.00 0.00 C ATOM 287 OD1 ASN A 19 7.806 -14.641 3.655 1.00 0.00 O ATOM 288 ND2 ASN A 19 7.787 -13.276 5.358 1.00 0.00 N ATOM 0 H ASN A 19 7.342 -10.680 1.276 1.00 0.00 H new ATOM 0 HA ASN A 19 7.099 -13.504 1.407 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.743 -12.126 2.706 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.434 -11.413 3.627 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.809 -14.059 6.012 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.768 -12.318 5.709 1.00 0.00 H new ATOM 295 N ILE A 20 4.678 -11.888 2.971 1.00 0.00 N ATOM 296 CA ILE A 20 3.336 -12.120 3.589 1.00 0.00 C ATOM 297 C ILE A 20 2.260 -12.409 2.528 1.00 0.00 C ATOM 298 O ILE A 20 1.176 -12.844 2.859 1.00 0.00 O ATOM 299 CB ILE A 20 2.943 -10.907 4.449 1.00 0.00 C ATOM 300 CG1 ILE A 20 2.640 -9.688 3.565 1.00 0.00 C ATOM 301 CG2 ILE A 20 4.100 -10.571 5.395 1.00 0.00 C ATOM 302 CD1 ILE A 20 2.257 -8.487 4.441 1.00 0.00 C ATOM 0 H ILE A 20 4.968 -10.912 2.915 1.00 0.00 H new ATOM 0 HA ILE A 20 3.403 -13.003 4.224 1.00 0.00 H new ATOM 0 HB ILE A 20 2.047 -11.154 5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.512 -9.443 2.958 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.827 -9.920 2.877 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.830 -9.712 6.009 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.304 -11.427 6.038 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.990 -10.335 4.812 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.044 -7.627 3.806 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.372 -8.733 5.029 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.083 -8.247 5.111 1.00 0.00 H new ATOM 314 N THR A 21 2.530 -12.174 1.263 1.00 0.00 N ATOM 315 CA THR A 21 1.485 -12.446 0.214 1.00 0.00 C ATOM 316 C THR A 21 1.744 -13.805 -0.452 1.00 0.00 C ATOM 317 O THR A 21 0.832 -14.461 -0.915 1.00 0.00 O ATOM 318 CB THR A 21 1.539 -11.360 -0.869 1.00 0.00 C ATOM 319 OG1 THR A 21 2.857 -11.278 -1.390 1.00 0.00 O ATOM 320 CG2 THR A 21 1.135 -10.008 -0.283 1.00 0.00 C ATOM 0 H THR A 21 3.416 -11.810 0.912 1.00 0.00 H new ATOM 0 HA THR A 21 0.507 -12.450 0.696 1.00 0.00 H new ATOM 0 HB THR A 21 0.844 -11.620 -1.667 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.416 -10.747 -0.784 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.178 -9.247 -1.062 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.120 -10.070 0.109 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.819 -9.742 0.523 1.00 0.00 H new ATOM 328 N GLN A 22 2.975 -14.226 -0.513 1.00 0.00 N ATOM 329 CA GLN A 22 3.292 -15.536 -1.160 1.00 0.00 C ATOM 330 C GLN A 22 2.877 -16.713 -0.269 1.00 0.00 C ATOM 331 O GLN A 22 2.398 -17.722 -0.749 1.00 0.00 O ATOM 332 CB GLN A 22 4.797 -15.611 -1.427 1.00 0.00 C ATOM 333 CG GLN A 22 5.170 -14.630 -2.541 1.00 0.00 C ATOM 334 CD GLN A 22 6.678 -14.693 -2.796 1.00 0.00 C ATOM 335 OE1 GLN A 22 7.162 -14.168 -3.778 1.00 0.00 O ATOM 336 NE2 GLN A 22 7.447 -15.315 -1.943 1.00 0.00 N ATOM 0 H GLN A 22 3.780 -13.721 -0.143 1.00 0.00 H new ATOM 0 HA GLN A 22 2.735 -15.602 -2.094 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.350 -15.373 -0.518 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.076 -16.625 -1.713 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.626 -14.876 -3.453 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.880 -13.617 -2.260 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.041 -15.756 -1.118 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.454 -15.359 -2.102 1.00 0.00 H new ATOM 345 N ASN A 23 3.087 -16.611 1.017 1.00 0.00 N ATOM 346 CA ASN A 23 2.738 -17.745 1.934 1.00 0.00 C ATOM 347 C ASN A 23 1.369 -17.524 2.587 1.00 0.00 C ATOM 348 O ASN A 23 1.059 -18.125 3.597 1.00 0.00 O ATOM 349 CB ASN A 23 3.806 -17.847 3.025 1.00 0.00 C ATOM 350 CG ASN A 23 5.115 -18.348 2.410 1.00 0.00 C ATOM 351 OD1 ASN A 23 5.102 -19.084 1.443 1.00 0.00 O ATOM 352 ND2 ASN A 23 6.252 -17.976 2.932 1.00 0.00 N ATOM 0 H ASN A 23 3.485 -15.792 1.476 1.00 0.00 H new ATOM 0 HA ASN A 23 2.697 -18.665 1.352 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.959 -16.874 3.491 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.476 -18.528 3.810 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.130 -18.303 2.528 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.263 -17.358 3.744 1.00 0.00 H new ATOM 359 N GLN A 24 0.541 -16.678 2.033 1.00 0.00 N ATOM 360 CA GLN A 24 -0.798 -16.452 2.655 1.00 0.00 C ATOM 361 C GLN A 24 -1.757 -17.563 2.209 1.00 0.00 C ATOM 362 O GLN A 24 -2.028 -17.732 1.037 1.00 0.00 O ATOM 363 CB GLN A 24 -1.344 -15.072 2.234 1.00 0.00 C ATOM 364 CG GLN A 24 -1.842 -15.100 0.782 1.00 0.00 C ATOM 365 CD GLN A 24 -2.020 -13.667 0.274 1.00 0.00 C ATOM 366 OE1 GLN A 24 -1.804 -12.721 1.004 1.00 0.00 O ATOM 367 NE2 GLN A 24 -2.411 -13.468 -0.955 1.00 0.00 N ATOM 0 H GLN A 24 0.730 -16.140 1.187 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.706 -16.473 3.741 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.159 -14.781 2.897 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.563 -14.319 2.340 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.130 -15.634 0.153 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.788 -15.639 0.721 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.592 -14.263 -1.568 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.535 -12.517 -1.303 1.00 0.00 H new ATOM 376 N LYS A 25 -2.274 -18.328 3.133 1.00 0.00 N ATOM 377 CA LYS A 25 -3.219 -19.413 2.746 1.00 0.00 C ATOM 378 C LYS A 25 -4.594 -18.789 2.517 1.00 0.00 C ATOM 379 O LYS A 25 -5.064 -18.676 1.402 1.00 0.00 O ATOM 380 CB LYS A 25 -3.310 -20.440 3.875 1.00 0.00 C ATOM 381 CG LYS A 25 -4.279 -21.554 3.475 1.00 0.00 C ATOM 382 CD LYS A 25 -4.222 -22.684 4.510 1.00 0.00 C ATOM 383 CE LYS A 25 -4.841 -22.218 5.833 1.00 0.00 C ATOM 384 NZ LYS A 25 -5.153 -23.404 6.679 1.00 0.00 N ATOM 0 H LYS A 25 -2.084 -18.249 4.132 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.871 -19.910 1.840 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.325 -20.858 4.081 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.651 -19.959 4.792 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.293 -21.160 3.408 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.020 -21.938 2.488 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.757 -23.557 4.137 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.188 -22.989 4.671 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.151 -21.556 6.356 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.749 -21.646 5.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.573 -23.089 7.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.826 -24.020 6.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.278 -23.932 6.872 1.00 0.00 H new ATOM 398 N ALA A 26 -5.228 -18.355 3.573 1.00 0.00 N ATOM 399 CA ALA A 26 -6.559 -17.704 3.439 1.00 0.00 C ATOM 400 C ALA A 26 -6.324 -16.226 3.083 1.00 0.00 C ATOM 401 O ALA A 26 -5.291 -15.678 3.413 1.00 0.00 O ATOM 402 CB ALA A 26 -7.308 -17.815 4.776 1.00 0.00 C ATOM 0 H ALA A 26 -4.877 -18.425 4.528 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.155 -18.184 2.663 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.285 -17.340 4.686 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.438 -18.866 5.034 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.733 -17.318 5.557 1.00 0.00 H new ATOM 408 N PRO A 27 -7.252 -15.570 2.425 1.00 0.00 N ATOM 409 CA PRO A 27 -7.052 -14.140 2.072 1.00 0.00 C ATOM 410 C PRO A 27 -6.518 -13.332 3.267 1.00 0.00 C ATOM 411 O PRO A 27 -6.580 -13.769 4.398 1.00 0.00 O ATOM 412 CB PRO A 27 -8.471 -13.700 1.662 1.00 0.00 C ATOM 413 CG PRO A 27 -9.346 -14.964 1.506 1.00 0.00 C ATOM 414 CD PRO A 27 -8.538 -16.184 1.993 1.00 0.00 C ATOM 0 HA PRO A 27 -6.311 -13.982 1.289 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.895 -13.036 2.415 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.440 -13.142 0.726 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.264 -14.863 2.085 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.639 -15.095 0.464 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -9.037 -16.699 2.814 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.391 -16.916 1.199 1.00 0.00 H new ATOM 422 N LEU A 28 -5.985 -12.167 3.022 1.00 0.00 N ATOM 423 CA LEU A 28 -5.441 -11.347 4.143 1.00 0.00 C ATOM 424 C LEU A 28 -6.585 -10.867 5.040 1.00 0.00 C ATOM 425 O LEU A 28 -6.377 -10.499 6.179 1.00 0.00 O ATOM 426 CB LEU A 28 -4.685 -10.139 3.579 1.00 0.00 C ATOM 427 CG LEU A 28 -3.510 -10.608 2.707 1.00 0.00 C ATOM 428 CD1 LEU A 28 -2.800 -9.383 2.121 1.00 0.00 C ATOM 429 CD2 LEU A 28 -2.512 -11.426 3.552 1.00 0.00 C ATOM 0 H LEU A 28 -5.902 -11.747 2.096 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.757 -11.957 4.733 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.361 -9.521 2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.316 -9.518 4.395 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.889 -11.238 1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.965 -9.709 1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.502 -8.812 1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.428 -8.756 2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.684 -11.752 2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.129 -10.807 4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.017 -12.298 3.968 1.00 0.00 H new ATOM 441 N CYS A 29 -7.792 -10.866 4.542 1.00 0.00 N ATOM 442 CA CYS A 29 -8.949 -10.410 5.372 1.00 0.00 C ATOM 443 C CYS A 29 -10.191 -11.221 4.997 1.00 0.00 C ATOM 444 O CYS A 29 -10.168 -12.020 4.085 1.00 0.00 O ATOM 445 CB CYS A 29 -9.206 -8.927 5.109 1.00 0.00 C ATOM 446 SG CYS A 29 -7.739 -7.968 5.565 1.00 0.00 S ATOM 0 H CYS A 29 -8.029 -11.161 3.595 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.725 -10.557 6.429 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -9.444 -8.769 4.057 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -10.068 -8.589 5.685 1.00 0.00 H new ATOM 451 N ASN A 30 -11.276 -11.031 5.697 1.00 0.00 N ATOM 452 CA ASN A 30 -12.507 -11.806 5.373 1.00 0.00 C ATOM 453 C ASN A 30 -13.067 -11.360 4.018 1.00 0.00 C ATOM 454 O ASN A 30 -14.164 -10.846 3.931 1.00 0.00 O ATOM 455 CB ASN A 30 -13.558 -11.572 6.461 1.00 0.00 C ATOM 456 CG ASN A 30 -14.730 -12.532 6.252 1.00 0.00 C ATOM 457 OD1 ASN A 30 -14.586 -13.555 5.612 1.00 0.00 O ATOM 458 ND2 ASN A 30 -15.894 -12.244 6.768 1.00 0.00 N ATOM 0 H ASN A 30 -11.363 -10.377 6.475 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.258 -12.866 5.325 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.118 -11.727 7.446 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.908 -10.540 6.427 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -16.682 -12.877 6.634 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -16.015 -11.386 7.305 1.00 0.00 H new ATOM 465 N GLY A 31 -12.330 -11.565 2.960 1.00 0.00 N ATOM 466 CA GLY A 31 -12.832 -11.166 1.613 1.00 0.00 C ATOM 467 C GLY A 31 -13.074 -9.655 1.572 1.00 0.00 C ATOM 468 O GLY A 31 -13.921 -9.173 0.845 1.00 0.00 O ATOM 0 H GLY A 31 -11.403 -11.991 2.970 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.109 -11.448 0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.757 -11.697 1.388 1.00 0.00 H new ATOM 472 N SER A 32 -12.344 -8.903 2.349 1.00 0.00 N ATOM 473 CA SER A 32 -12.543 -7.425 2.353 1.00 0.00 C ATOM 474 C SER A 32 -12.160 -6.849 0.988 1.00 0.00 C ATOM 475 O SER A 32 -11.304 -7.371 0.299 1.00 0.00 O ATOM 476 CB SER A 32 -11.666 -6.788 3.430 1.00 0.00 C ATOM 477 OG SER A 32 -12.021 -7.318 4.700 1.00 0.00 O ATOM 0 H SER A 32 -11.620 -9.246 2.980 1.00 0.00 H new ATOM 0 HA SER A 32 -13.591 -7.209 2.561 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.614 -6.985 3.222 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.794 -5.706 3.426 1.00 0.00 H new ATOM 0 HG SER A 32 -11.459 -6.912 5.393 1.00 0.00 H new ATOM 483 N MET A 33 -12.794 -5.771 0.600 1.00 0.00 N ATOM 484 CA MET A 33 -12.490 -5.127 -0.716 1.00 0.00 C ATOM 485 C MET A 33 -12.083 -3.673 -0.466 1.00 0.00 C ATOM 486 O MET A 33 -12.453 -3.084 0.531 1.00 0.00 O ATOM 487 CB MET A 33 -13.743 -5.166 -1.595 1.00 0.00 C ATOM 488 CG MET A 33 -14.162 -6.622 -1.817 1.00 0.00 C ATOM 489 SD MET A 33 -15.645 -6.678 -2.856 1.00 0.00 S ATOM 490 CE MET A 33 -14.809 -6.685 -4.461 1.00 0.00 C ATOM 0 H MET A 33 -13.518 -5.304 1.145 1.00 0.00 H new ATOM 0 HA MET A 33 -11.680 -5.657 -1.218 1.00 0.00 H new ATOM 0 HB2 MET A 33 -14.552 -4.612 -1.119 1.00 0.00 H new ATOM 0 HB3 MET A 33 -13.545 -4.683 -2.552 1.00 0.00 H new ATOM 0 HG2 MET A 33 -13.352 -7.175 -2.292 1.00 0.00 H new ATOM 0 HG3 MET A 33 -14.359 -7.104 -0.859 1.00 0.00 H new ATOM 0 HE1 MET A 33 -15.552 -6.718 -5.258 1.00 0.00 H new ATOM 0 HE2 MET A 33 -14.208 -5.781 -4.562 1.00 0.00 H new ATOM 0 HE3 MET A 33 -14.163 -7.560 -4.531 1.00 0.00 H new ATOM 500 N VAL A 34 -11.321 -3.090 -1.359 1.00 0.00 N ATOM 501 CA VAL A 34 -10.878 -1.669 -1.179 1.00 0.00 C ATOM 502 C VAL A 34 -11.166 -0.884 -2.455 1.00 0.00 C ATOM 503 O VAL A 34 -11.339 -1.445 -3.519 1.00 0.00 O ATOM 504 CB VAL A 34 -9.375 -1.633 -0.895 1.00 0.00 C ATOM 505 CG1 VAL A 34 -9.111 -2.131 0.525 1.00 0.00 C ATOM 506 CG2 VAL A 34 -8.643 -2.533 -1.893 1.00 0.00 C ATOM 0 H VAL A 34 -10.984 -3.539 -2.211 1.00 0.00 H new ATOM 0 HA VAL A 34 -11.418 -1.225 -0.343 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.013 -0.610 -0.995 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.040 -2.105 0.726 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.630 -1.490 1.238 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.474 -3.154 0.625 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.572 -2.506 -1.690 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.006 -3.556 -1.794 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.829 -2.178 -2.907 1.00 0.00 H new ATOM 516 N TRP A 35 -11.224 0.414 -2.353 1.00 0.00 N ATOM 517 CA TRP A 35 -11.506 1.243 -3.554 1.00 0.00 C ATOM 518 C TRP A 35 -10.274 1.271 -4.455 1.00 0.00 C ATOM 519 O TRP A 35 -9.164 1.454 -3.997 1.00 0.00 O ATOM 520 CB TRP A 35 -11.831 2.670 -3.119 1.00 0.00 C ATOM 521 CG TRP A 35 -13.117 2.689 -2.360 1.00 0.00 C ATOM 522 CD1 TRP A 35 -13.231 2.505 -1.026 1.00 0.00 C ATOM 523 CD2 TRP A 35 -14.466 2.908 -2.861 1.00 0.00 C ATOM 524 NE1 TRP A 35 -14.562 2.606 -0.672 1.00 0.00 N ATOM 525 CE2 TRP A 35 -15.365 2.853 -1.770 1.00 0.00 C ATOM 526 CE3 TRP A 35 -14.991 3.148 -4.143 1.00 0.00 C ATOM 527 CZ2 TRP A 35 -16.739 3.032 -1.946 1.00 0.00 C ATOM 528 CZ3 TRP A 35 -16.372 3.326 -4.324 1.00 0.00 C ATOM 529 CH2 TRP A 35 -17.244 3.269 -3.228 1.00 0.00 C ATOM 0 H TRP A 35 -11.088 0.936 -1.487 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.351 0.817 -4.096 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -11.026 3.062 -2.498 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -11.904 3.318 -3.992 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -12.414 2.311 -0.347 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -14.910 2.510 0.282 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.328 3.196 -4.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -17.406 2.988 -1.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -16.765 3.508 -5.314 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -18.305 3.408 -3.374 1.00 0.00 H new ATOM 540 N SER A 36 -10.458 1.107 -5.734 1.00 0.00 N ATOM 541 CA SER A 36 -9.292 1.142 -6.654 1.00 0.00 C ATOM 542 C SER A 36 -8.765 2.576 -6.722 1.00 0.00 C ATOM 543 O SER A 36 -9.490 3.521 -6.483 1.00 0.00 O ATOM 544 CB SER A 36 -9.721 0.683 -8.047 1.00 0.00 C ATOM 545 OG SER A 36 -10.567 1.667 -8.626 1.00 0.00 O ATOM 0 H SER A 36 -11.362 0.951 -6.180 1.00 0.00 H new ATOM 0 HA SER A 36 -8.510 0.476 -6.289 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.845 0.524 -8.676 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.244 -0.271 -7.983 1.00 0.00 H new ATOM 0 HG SER A 36 -10.843 1.376 -9.520 1.00 0.00 H new ATOM 551 N ILE A 37 -7.509 2.745 -7.041 1.00 0.00 N ATOM 552 CA ILE A 37 -6.922 4.119 -7.123 1.00 0.00 C ATOM 553 C ILE A 37 -6.049 4.227 -8.370 1.00 0.00 C ATOM 554 O ILE A 37 -5.633 3.236 -8.937 1.00 0.00 O ATOM 555 CB ILE A 37 -6.065 4.384 -5.878 1.00 0.00 C ATOM 556 CG1 ILE A 37 -4.998 3.287 -5.730 1.00 0.00 C ATOM 557 CG2 ILE A 37 -6.960 4.391 -4.638 1.00 0.00 C ATOM 558 CD1 ILE A 37 -3.961 3.715 -4.689 1.00 0.00 C ATOM 0 H ILE A 37 -6.859 1.987 -7.250 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.726 4.853 -7.176 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.572 5.350 -5.983 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.465 2.350 -5.428 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.512 3.107 -6.689 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.353 4.579 -3.752 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.711 5.174 -4.736 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.454 3.424 -4.541 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.206 2.936 -4.586 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.485 4.642 -5.009 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.453 3.873 -3.729 1.00 0.00 H new ATOM 570 N ASN A 38 -5.744 5.423 -8.788 1.00 0.00 N ATOM 571 CA ASN A 38 -4.870 5.592 -9.981 1.00 0.00 C ATOM 572 C ASN A 38 -3.423 5.586 -9.496 1.00 0.00 C ATOM 573 O ASN A 38 -3.033 6.389 -8.672 1.00 0.00 O ATOM 574 CB ASN A 38 -5.187 6.925 -10.661 1.00 0.00 C ATOM 575 CG ASN A 38 -6.616 6.886 -11.201 1.00 0.00 C ATOM 576 OD1 ASN A 38 -7.422 7.739 -10.884 1.00 0.00 O ATOM 577 ND2 ASN A 38 -6.968 5.923 -12.008 1.00 0.00 N ATOM 0 H ASN A 38 -6.062 6.290 -8.355 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.034 4.789 -10.700 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.076 7.745 -9.951 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.484 7.109 -11.473 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.920 5.886 -12.373 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.291 5.207 -12.274 1.00 0.00 H new ATOM 584 N LEU A 39 -2.625 4.673 -9.976 1.00 0.00 N ATOM 585 CA LEU A 39 -1.212 4.609 -9.509 1.00 0.00 C ATOM 586 C LEU A 39 -0.385 5.668 -10.238 1.00 0.00 C ATOM 587 O LEU A 39 -0.192 5.609 -11.436 1.00 0.00 O ATOM 588 CB LEU A 39 -0.628 3.219 -9.800 1.00 0.00 C ATOM 589 CG LEU A 39 -1.303 2.137 -8.930 1.00 0.00 C ATOM 590 CD1 LEU A 39 -1.098 2.432 -7.432 1.00 0.00 C ATOM 591 CD2 LEU A 39 -2.807 2.070 -9.246 1.00 0.00 C ATOM 0 H LEU A 39 -2.888 3.972 -10.668 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.182 4.795 -8.435 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.763 2.978 -10.854 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.445 3.225 -9.610 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.842 1.176 -9.160 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.582 1.656 -6.839 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.032 2.448 -7.207 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.535 3.401 -7.189 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.275 1.304 -8.628 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.266 3.036 -9.036 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.947 1.822 -10.298 1.00 0.00 H new ATOM 603 N THR A 40 0.108 6.639 -9.514 1.00 0.00 N ATOM 604 CA THR A 40 0.929 7.716 -10.140 1.00 0.00 C ATOM 605 C THR A 40 2.040 8.131 -9.171 1.00 0.00 C ATOM 606 O THR A 40 2.928 7.361 -8.865 1.00 0.00 O ATOM 607 CB THR A 40 0.040 8.923 -10.452 1.00 0.00 C ATOM 608 OG1 THR A 40 -0.445 9.479 -9.238 1.00 0.00 O ATOM 609 CG2 THR A 40 -1.140 8.480 -11.320 1.00 0.00 C ATOM 0 H THR A 40 -0.025 6.732 -8.507 1.00 0.00 H new ATOM 0 HA THR A 40 1.371 7.348 -11.066 1.00 0.00 H new ATOM 0 HB THR A 40 0.621 9.673 -10.989 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.013 10.253 -9.436 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.772 9.340 -11.541 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.767 8.055 -12.252 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.723 7.729 -10.786 1.00 0.00 H new ATOM 617 N ALA A 41 2.006 9.348 -8.694 1.00 0.00 N ATOM 618 CA ALA A 41 3.068 9.820 -7.753 1.00 0.00 C ATOM 619 C ALA A 41 2.670 9.532 -6.299 1.00 0.00 C ATOM 620 O ALA A 41 3.179 8.623 -5.676 1.00 0.00 O ATOM 621 CB ALA A 41 3.266 11.325 -7.933 1.00 0.00 C ATOM 0 H ALA A 41 1.288 10.038 -8.915 1.00 0.00 H new ATOM 0 HA ALA A 41 3.994 9.289 -7.974 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.039 11.675 -7.249 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.569 11.532 -8.959 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.331 11.843 -7.719 1.00 0.00 H new ATOM 627 N GLY A 42 1.786 10.324 -5.749 1.00 0.00 N ATOM 628 CA GLY A 42 1.368 10.128 -4.326 1.00 0.00 C ATOM 629 C GLY A 42 0.655 8.783 -4.141 1.00 0.00 C ATOM 630 O GLY A 42 -0.375 8.705 -3.502 1.00 0.00 O ATOM 0 H GLY A 42 1.332 11.103 -6.226 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.243 10.172 -3.677 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.706 10.939 -4.023 1.00 0.00 H new ATOM 634 N MET A 43 1.191 7.722 -4.681 1.00 0.00 N ATOM 635 CA MET A 43 0.531 6.395 -4.513 1.00 0.00 C ATOM 636 C MET A 43 0.479 6.047 -3.025 1.00 0.00 C ATOM 637 O MET A 43 -0.496 5.515 -2.532 1.00 0.00 O ATOM 638 CB MET A 43 1.348 5.325 -5.235 1.00 0.00 C ATOM 639 CG MET A 43 1.398 5.643 -6.726 1.00 0.00 C ATOM 640 SD MET A 43 2.153 4.259 -7.616 1.00 0.00 S ATOM 641 CE MET A 43 3.751 4.288 -6.769 1.00 0.00 C ATOM 0 H MET A 43 2.052 7.716 -5.228 1.00 0.00 H new ATOM 0 HA MET A 43 -0.476 6.436 -4.927 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.358 5.286 -4.827 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.902 4.343 -5.076 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.392 5.826 -7.103 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.972 6.554 -6.895 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.513 3.850 -7.414 1.00 0.00 H new ATOM 0 HE2 MET A 43 4.021 5.318 -6.537 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.684 3.713 -5.845 1.00 0.00 H new ATOM 651 N TYR A 44 1.530 6.344 -2.311 1.00 0.00 N ATOM 652 CA TYR A 44 1.565 6.037 -0.855 1.00 0.00 C ATOM 653 C TYR A 44 0.425 6.780 -0.157 1.00 0.00 C ATOM 654 O TYR A 44 -0.250 6.245 0.700 1.00 0.00 O ATOM 655 CB TYR A 44 2.906 6.503 -0.284 1.00 0.00 C ATOM 656 CG TYR A 44 4.033 5.779 -0.982 1.00 0.00 C ATOM 657 CD1 TYR A 44 4.590 6.316 -2.149 1.00 0.00 C ATOM 658 CD2 TYR A 44 4.520 4.572 -0.466 1.00 0.00 C ATOM 659 CE1 TYR A 44 5.633 5.647 -2.800 1.00 0.00 C ATOM 660 CE2 TYR A 44 5.564 3.903 -1.118 1.00 0.00 C ATOM 661 CZ TYR A 44 6.120 4.441 -2.284 1.00 0.00 C ATOM 662 OH TYR A 44 7.148 3.781 -2.925 1.00 0.00 O ATOM 0 H TYR A 44 2.371 6.789 -2.677 1.00 0.00 H new ATOM 0 HA TYR A 44 1.449 4.965 -0.695 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.015 7.579 -0.416 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.944 6.308 0.788 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.215 7.247 -2.547 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.091 4.157 0.434 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.062 6.062 -3.700 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.940 2.972 -0.721 1.00 0.00 H new ATOM 0 HH TYR A 44 7.366 2.961 -2.435 1.00 0.00 H new ATOM 672 N CYS A 45 0.202 8.011 -0.528 1.00 0.00 N ATOM 673 CA CYS A 45 -0.897 8.797 0.096 1.00 0.00 C ATOM 674 C CYS A 45 -2.241 8.185 -0.309 1.00 0.00 C ATOM 675 O CYS A 45 -3.062 7.851 0.523 1.00 0.00 O ATOM 676 CB CYS A 45 -0.812 10.244 -0.394 1.00 0.00 C ATOM 677 SG CYS A 45 0.926 10.746 -0.439 1.00 0.00 S ATOM 0 H CYS A 45 0.737 8.508 -1.240 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.806 8.778 1.182 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.256 10.333 -1.386 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.377 10.900 0.268 1.00 0.00 H new ATOM 682 N ALA A 46 -2.467 8.037 -1.586 1.00 0.00 N ATOM 683 CA ALA A 46 -3.751 7.447 -2.063 1.00 0.00 C ATOM 684 C ALA A 46 -3.876 5.999 -1.580 1.00 0.00 C ATOM 685 O ALA A 46 -4.936 5.544 -1.197 1.00 0.00 O ATOM 686 CB ALA A 46 -3.776 7.470 -3.593 1.00 0.00 C ATOM 0 H ALA A 46 -1.814 8.301 -2.324 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.582 8.030 -1.666 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.712 7.040 -3.948 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.694 8.499 -3.943 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.940 6.887 -3.979 1.00 0.00 H new ATOM 692 N ALA A 47 -2.809 5.259 -1.606 1.00 0.00 N ATOM 693 CA ALA A 47 -2.897 3.848 -1.152 1.00 0.00 C ATOM 694 C ALA A 47 -3.187 3.803 0.352 1.00 0.00 C ATOM 695 O ALA A 47 -3.945 2.978 0.822 1.00 0.00 O ATOM 696 CB ALA A 47 -1.581 3.124 -1.448 1.00 0.00 C ATOM 0 H ALA A 47 -1.888 5.565 -1.919 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.706 3.351 -1.687 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.652 2.089 -1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.387 3.146 -2.520 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.766 3.621 -0.922 1.00 0.00 H new ATOM 702 N LEU A 48 -2.575 4.672 1.111 1.00 0.00 N ATOM 703 CA LEU A 48 -2.801 4.666 2.586 1.00 0.00 C ATOM 704 C LEU A 48 -4.278 4.901 2.915 1.00 0.00 C ATOM 705 O LEU A 48 -4.865 4.170 3.682 1.00 0.00 O ATOM 706 CB LEU A 48 -1.953 5.776 3.228 1.00 0.00 C ATOM 707 CG LEU A 48 -2.168 5.820 4.752 1.00 0.00 C ATOM 708 CD1 LEU A 48 -1.705 4.503 5.394 1.00 0.00 C ATOM 709 CD2 LEU A 48 -1.356 6.983 5.331 1.00 0.00 C ATOM 0 H LEU A 48 -1.929 5.385 0.774 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.511 3.692 2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.899 5.606 3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.217 6.739 2.792 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.228 5.958 4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.863 4.548 6.472 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.278 3.674 4.978 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.645 4.351 5.189 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.500 7.025 6.411 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.299 6.834 5.111 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.691 7.919 4.884 1.00 0.00 H new ATOM 721 N GLU A 49 -4.881 5.921 2.361 1.00 0.00 N ATOM 722 CA GLU A 49 -6.315 6.202 2.685 1.00 0.00 C ATOM 723 C GLU A 49 -7.202 5.015 2.307 1.00 0.00 C ATOM 724 O GLU A 49 -8.119 4.672 3.026 1.00 0.00 O ATOM 725 CB GLU A 49 -6.796 7.478 1.971 1.00 0.00 C ATOM 726 CG GLU A 49 -6.407 7.463 0.489 1.00 0.00 C ATOM 727 CD GLU A 49 -7.370 6.571 -0.302 1.00 0.00 C ATOM 728 OE1 GLU A 49 -8.347 6.127 0.274 1.00 0.00 O ATOM 729 OE2 GLU A 49 -7.116 6.354 -1.475 1.00 0.00 O ATOM 0 H GLU A 49 -4.448 6.568 1.703 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.391 6.359 3.761 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.879 7.564 2.065 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.363 8.354 2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.428 8.477 0.090 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.386 7.097 0.377 1.00 0.00 H new ATOM 736 N SER A 50 -6.958 4.378 1.197 1.00 0.00 N ATOM 737 CA SER A 50 -7.822 3.221 0.824 1.00 0.00 C ATOM 738 C SER A 50 -7.715 2.145 1.906 1.00 0.00 C ATOM 739 O SER A 50 -8.687 1.513 2.266 1.00 0.00 O ATOM 740 CB SER A 50 -7.374 2.638 -0.516 1.00 0.00 C ATOM 741 OG SER A 50 -8.320 1.666 -0.943 1.00 0.00 O ATOM 0 H SER A 50 -6.211 4.602 0.540 1.00 0.00 H new ATOM 0 HA SER A 50 -8.854 3.560 0.736 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.287 3.430 -1.260 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.388 2.184 -0.417 1.00 0.00 H new ATOM 0 HG SER A 50 -8.435 1.726 -1.914 1.00 0.00 H new ATOM 747 N LEU A 51 -6.537 1.927 2.420 1.00 0.00 N ATOM 748 CA LEU A 51 -6.361 0.887 3.472 1.00 0.00 C ATOM 749 C LEU A 51 -7.029 1.341 4.778 1.00 0.00 C ATOM 750 O LEU A 51 -7.495 0.532 5.556 1.00 0.00 O ATOM 751 CB LEU A 51 -4.866 0.659 3.713 1.00 0.00 C ATOM 752 CG LEU A 51 -4.233 -0.021 2.488 1.00 0.00 C ATOM 753 CD1 LEU A 51 -2.713 -0.075 2.674 1.00 0.00 C ATOM 754 CD2 LEU A 51 -4.789 -1.451 2.313 1.00 0.00 C ATOM 0 H LEU A 51 -5.687 2.425 2.157 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.826 -0.041 3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.371 1.611 3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.722 0.039 4.598 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.477 0.555 1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.257 -0.556 1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.322 0.938 2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.476 -0.645 3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.329 -1.916 1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.562 -2.041 3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.869 -1.407 2.173 1.00 0.00 H new ATOM 766 N ILE A 52 -7.084 2.624 5.029 1.00 0.00 N ATOM 767 CA ILE A 52 -7.725 3.110 6.289 1.00 0.00 C ATOM 768 C ILE A 52 -9.146 2.543 6.389 1.00 0.00 C ATOM 769 O ILE A 52 -9.751 2.553 7.443 1.00 0.00 O ATOM 770 CB ILE A 52 -7.773 4.652 6.292 1.00 0.00 C ATOM 771 CG1 ILE A 52 -6.360 5.241 6.462 1.00 0.00 C ATOM 772 CG2 ILE A 52 -8.673 5.162 7.420 1.00 0.00 C ATOM 773 CD1 ILE A 52 -5.693 4.757 7.761 1.00 0.00 C ATOM 0 H ILE A 52 -6.715 3.354 4.419 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.141 2.774 7.146 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.181 4.974 5.334 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.743 4.958 5.609 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.418 6.329 6.467 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.693 6.252 7.405 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.684 4.778 7.281 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.284 4.820 8.379 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.698 5.195 7.844 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.296 5.063 8.616 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.611 3.670 7.745 1.00 0.00 H new ATOM 785 N ASN A 53 -9.686 2.040 5.309 1.00 0.00 N ATOM 786 CA ASN A 53 -11.065 1.468 5.369 1.00 0.00 C ATOM 787 C ASN A 53 -10.981 0.022 5.864 1.00 0.00 C ATOM 788 O ASN A 53 -11.921 -0.512 6.419 1.00 0.00 O ATOM 789 CB ASN A 53 -11.701 1.486 3.973 1.00 0.00 C ATOM 790 CG ASN A 53 -12.008 2.926 3.560 1.00 0.00 C ATOM 791 OD1 ASN A 53 -12.244 3.775 4.396 1.00 0.00 O ATOM 792 ND2 ASN A 53 -12.013 3.237 2.292 1.00 0.00 N ATOM 0 H ASN A 53 -9.236 2.000 4.394 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.675 2.064 6.048 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -11.026 1.027 3.250 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.617 0.895 3.973 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.215 4.194 2.002 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.815 2.523 1.591 1.00 0.00 H new ATOM 799 N VAL A 54 -9.854 -0.616 5.672 1.00 0.00 N ATOM 800 CA VAL A 54 -9.695 -2.028 6.133 1.00 0.00 C ATOM 801 C VAL A 54 -9.147 -2.029 7.563 1.00 0.00 C ATOM 802 O VAL A 54 -8.073 -1.522 7.823 1.00 0.00 O ATOM 803 CB VAL A 54 -8.713 -2.750 5.208 1.00 0.00 C ATOM 804 CG1 VAL A 54 -8.739 -4.251 5.499 1.00 0.00 C ATOM 805 CG2 VAL A 54 -9.117 -2.506 3.752 1.00 0.00 C ATOM 0 H VAL A 54 -9.034 -0.218 5.214 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.658 -2.538 6.111 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.707 -2.368 5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.038 -4.762 4.838 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.453 -4.426 6.536 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.744 -4.637 5.330 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.419 -3.019 3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -10.124 -2.888 3.585 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -9.096 -1.436 3.543 1.00 0.00 H new ATOM 815 N SER A 55 -9.883 -2.587 8.494 1.00 0.00 N ATOM 816 CA SER A 55 -9.423 -2.619 9.921 1.00 0.00 C ATOM 817 C SER A 55 -9.522 -4.044 10.471 1.00 0.00 C ATOM 818 O SER A 55 -10.302 -4.850 10.004 1.00 0.00 O ATOM 819 CB SER A 55 -10.313 -1.694 10.752 1.00 0.00 C ATOM 820 OG SER A 55 -10.179 -0.362 10.271 1.00 0.00 O ATOM 0 H SER A 55 -10.789 -3.025 8.327 1.00 0.00 H new ATOM 0 HA SER A 55 -8.386 -2.288 9.974 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.353 -2.014 10.687 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.029 -1.744 11.803 1.00 0.00 H new ATOM 0 HG SER A 55 -10.749 0.235 10.799 1.00 0.00 H new ATOM 826 N GLY A 56 -8.740 -4.357 11.473 1.00 0.00 N ATOM 827 CA GLY A 56 -8.785 -5.724 12.074 1.00 0.00 C ATOM 828 C GLY A 56 -7.785 -6.649 11.374 1.00 0.00 C ATOM 829 O GLY A 56 -7.530 -7.747 11.826 1.00 0.00 O ATOM 0 H GLY A 56 -8.069 -3.720 11.903 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.555 -5.668 13.138 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.791 -6.133 11.987 1.00 0.00 H new ATOM 833 N CYS A 57 -7.211 -6.219 10.279 1.00 0.00 N ATOM 834 CA CYS A 57 -6.222 -7.084 9.559 1.00 0.00 C ATOM 835 C CYS A 57 -4.799 -6.684 9.965 1.00 0.00 C ATOM 836 O CYS A 57 -4.247 -5.724 9.467 1.00 0.00 O ATOM 837 CB CYS A 57 -6.388 -6.905 8.048 1.00 0.00 C ATOM 838 SG CYS A 57 -7.996 -7.551 7.526 1.00 0.00 S ATOM 0 H CYS A 57 -7.383 -5.309 9.852 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.396 -8.127 9.823 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -6.308 -5.850 7.787 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.588 -7.426 7.521 1.00 0.00 H new ATOM 843 N SER A 58 -4.202 -7.417 10.866 1.00 0.00 N ATOM 844 CA SER A 58 -2.814 -7.089 11.308 1.00 0.00 C ATOM 845 C SER A 58 -1.836 -7.325 10.153 1.00 0.00 C ATOM 846 O SER A 58 -0.867 -6.610 9.988 1.00 0.00 O ATOM 847 CB SER A 58 -2.431 -7.984 12.488 1.00 0.00 C ATOM 848 OG SER A 58 -1.107 -7.674 12.902 1.00 0.00 O ATOM 0 H SER A 58 -4.617 -8.232 11.317 1.00 0.00 H new ATOM 0 HA SER A 58 -2.770 -6.043 11.612 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.127 -7.835 13.314 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.498 -9.033 12.200 1.00 0.00 H new ATOM 0 HG SER A 58 -0.859 -8.245 13.659 1.00 0.00 H new ATOM 854 N ALA A 59 -2.076 -8.334 9.365 1.00 0.00 N ATOM 855 CA ALA A 59 -1.160 -8.643 8.230 1.00 0.00 C ATOM 856 C ALA A 59 -0.874 -7.384 7.399 1.00 0.00 C ATOM 857 O ALA A 59 0.070 -7.354 6.634 1.00 0.00 O ATOM 858 CB ALA A 59 -1.805 -9.702 7.335 1.00 0.00 C ATOM 0 H ALA A 59 -2.873 -8.963 9.458 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.218 -9.014 8.635 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.138 -9.931 6.504 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.986 -10.607 7.915 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.751 -9.324 6.948 1.00 0.00 H new ATOM 864 N ILE A 60 -1.673 -6.347 7.531 1.00 0.00 N ATOM 865 CA ILE A 60 -1.433 -5.094 6.735 1.00 0.00 C ATOM 866 C ILE A 60 -1.376 -3.889 7.670 1.00 0.00 C ATOM 867 O ILE A 60 -1.079 -2.786 7.260 1.00 0.00 O ATOM 868 CB ILE A 60 -2.561 -4.908 5.714 1.00 0.00 C ATOM 869 CG1 ILE A 60 -3.917 -4.861 6.429 1.00 0.00 C ATOM 870 CG2 ILE A 60 -2.544 -6.078 4.730 1.00 0.00 C ATOM 871 CD1 ILE A 60 -5.017 -4.500 5.427 1.00 0.00 C ATOM 0 H ILE A 60 -2.480 -6.314 8.154 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.483 -5.180 6.208 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.411 -3.970 5.179 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.131 -5.827 6.887 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.889 -4.126 7.234 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.344 -5.952 4.001 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.584 -6.106 4.214 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.691 -7.012 5.272 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.979 -4.468 5.939 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.805 -3.524 4.990 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.051 -5.251 4.638 1.00 0.00 H new ATOM 883 N GLU A 61 -1.651 -4.087 8.924 1.00 0.00 N ATOM 884 CA GLU A 61 -1.599 -2.945 9.871 1.00 0.00 C ATOM 885 C GLU A 61 -0.182 -2.362 9.876 1.00 0.00 C ATOM 886 O GLU A 61 0.005 -1.165 9.788 1.00 0.00 O ATOM 887 CB GLU A 61 -1.985 -3.437 11.266 1.00 0.00 C ATOM 888 CG GLU A 61 -1.900 -2.285 12.257 1.00 0.00 C ATOM 889 CD GLU A 61 -2.429 -2.740 13.618 1.00 0.00 C ATOM 890 OE1 GLU A 61 -2.957 -3.837 13.691 1.00 0.00 O ATOM 891 OE2 GLU A 61 -2.296 -1.983 14.566 1.00 0.00 O ATOM 0 H GLU A 61 -1.908 -4.985 9.333 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.298 -2.166 9.566 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.996 -3.844 11.252 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.321 -4.245 11.574 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.868 -1.948 12.351 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.481 -1.437 11.895 1.00 0.00 H new ATOM 898 N LYS A 62 0.817 -3.198 9.957 1.00 0.00 N ATOM 899 CA LYS A 62 2.218 -2.687 9.941 1.00 0.00 C ATOM 900 C LYS A 62 2.476 -1.980 8.611 1.00 0.00 C ATOM 901 O LYS A 62 3.186 -0.997 8.542 1.00 0.00 O ATOM 902 CB LYS A 62 3.198 -3.850 10.095 1.00 0.00 C ATOM 903 CG LYS A 62 3.106 -4.404 11.517 1.00 0.00 C ATOM 904 CD LYS A 62 4.022 -5.627 11.666 1.00 0.00 C ATOM 905 CE LYS A 62 5.476 -5.181 11.861 1.00 0.00 C ATOM 906 NZ LYS A 62 6.307 -6.360 12.232 1.00 0.00 N ATOM 0 H LYS A 62 0.724 -4.211 10.033 1.00 0.00 H new ATOM 0 HA LYS A 62 2.359 -1.990 10.767 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.968 -4.633 9.372 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.214 -3.514 9.888 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.393 -3.635 12.235 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.076 -4.681 11.742 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.702 -6.229 12.517 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.944 -6.259 10.781 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.855 -4.728 10.945 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.534 -4.421 12.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.294 -6.061 12.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.948 -6.773 13.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.260 -7.070 11.474 1.00 0.00 H new ATOM 920 N THR A 63 1.908 -2.488 7.552 1.00 0.00 N ATOM 921 CA THR A 63 2.119 -1.868 6.215 1.00 0.00 C ATOM 922 C THR A 63 1.621 -0.420 6.234 1.00 0.00 C ATOM 923 O THR A 63 2.232 0.458 5.660 1.00 0.00 O ATOM 924 CB THR A 63 1.349 -2.662 5.153 1.00 0.00 C ATOM 925 OG1 THR A 63 1.820 -4.002 5.134 1.00 0.00 O ATOM 926 CG2 THR A 63 1.568 -2.031 3.776 1.00 0.00 C ATOM 0 H THR A 63 1.304 -3.310 7.556 1.00 0.00 H new ATOM 0 HA THR A 63 3.182 -1.880 5.976 1.00 0.00 H new ATOM 0 HB THR A 63 0.286 -2.648 5.393 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.328 -4.512 4.457 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.019 -2.598 3.024 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.210 -1.001 3.786 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.631 -2.043 3.535 1.00 0.00 H new ATOM 934 N GLN A 64 0.515 -0.157 6.877 1.00 0.00 N ATOM 935 CA GLN A 64 -0.009 1.240 6.903 1.00 0.00 C ATOM 936 C GLN A 64 1.024 2.167 7.547 1.00 0.00 C ATOM 937 O GLN A 64 1.247 3.270 7.090 1.00 0.00 O ATOM 938 CB GLN A 64 -1.300 1.287 7.721 1.00 0.00 C ATOM 939 CG GLN A 64 -2.417 0.571 6.962 1.00 0.00 C ATOM 940 CD GLN A 64 -3.696 0.596 7.800 1.00 0.00 C ATOM 941 OE1 GLN A 64 -3.686 1.040 8.931 1.00 0.00 O ATOM 942 NE2 GLN A 64 -4.804 0.133 7.291 1.00 0.00 N ATOM 0 H GLN A 64 -0.045 -0.843 7.382 1.00 0.00 H new ATOM 0 HA GLN A 64 -0.207 1.566 5.882 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.145 0.814 8.691 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.583 2.322 7.913 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.589 1.057 6.001 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.127 -0.458 6.751 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.812 -0.240 6.342 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.662 0.144 7.842 1.00 0.00 H new ATOM 951 N ARG A 65 1.666 1.732 8.595 1.00 0.00 N ATOM 952 CA ARG A 65 2.689 2.598 9.243 1.00 0.00 C ATOM 953 C ARG A 65 3.812 2.876 8.243 1.00 0.00 C ATOM 954 O ARG A 65 4.232 4.002 8.058 1.00 0.00 O ATOM 955 CB ARG A 65 3.273 1.880 10.460 1.00 0.00 C ATOM 956 CG ARG A 65 4.238 2.812 11.198 1.00 0.00 C ATOM 957 CD ARG A 65 4.818 2.086 12.414 1.00 0.00 C ATOM 958 NE ARG A 65 5.633 3.041 13.218 1.00 0.00 N ATOM 959 CZ ARG A 65 6.015 2.722 14.424 1.00 0.00 C ATOM 960 NH1 ARG A 65 5.713 1.552 14.918 1.00 0.00 N ATOM 961 NH2 ARG A 65 6.707 3.570 15.135 1.00 0.00 N ATOM 0 H ARG A 65 1.528 0.819 9.029 1.00 0.00 H new ATOM 0 HA ARG A 65 2.227 3.534 9.559 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.471 1.568 11.129 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.795 0.976 10.145 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.041 3.124 10.530 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.717 3.716 11.515 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.014 1.674 13.024 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.434 1.247 12.091 1.00 0.00 H new ATOM 0 HE ARG A 65 5.892 3.946 12.824 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.178 0.886 14.361 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.012 1.304 15.861 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.949 4.482 14.748 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.006 3.321 16.078 1.00 0.00 H new ATOM 975 N MET A 66 4.307 1.849 7.602 1.00 0.00 N ATOM 976 CA MET A 66 5.411 2.038 6.618 1.00 0.00 C ATOM 977 C MET A 66 4.935 2.917 5.458 1.00 0.00 C ATOM 978 O MET A 66 5.655 3.775 4.988 1.00 0.00 O ATOM 979 CB MET A 66 5.863 0.675 6.083 1.00 0.00 C ATOM 980 CG MET A 66 6.589 -0.099 7.191 1.00 0.00 C ATOM 981 SD MET A 66 7.379 -1.573 6.494 1.00 0.00 S ATOM 982 CE MET A 66 5.874 -2.518 6.155 1.00 0.00 C ATOM 0 H MET A 66 3.993 0.886 7.719 1.00 0.00 H new ATOM 0 HA MET A 66 6.249 2.528 7.113 1.00 0.00 H new ATOM 0 HB2 MET A 66 5.001 0.107 5.733 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.524 0.810 5.227 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.338 0.538 7.661 1.00 0.00 H new ATOM 0 HG3 MET A 66 5.882 -0.388 7.969 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.141 -3.524 5.831 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.270 -2.577 7.060 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.303 -2.024 5.369 1.00 0.00 H new ATOM 992 N LEU A 67 3.728 2.725 4.996 1.00 0.00 N ATOM 993 CA LEU A 67 3.230 3.572 3.875 1.00 0.00 C ATOM 994 C LEU A 67 3.224 5.030 4.327 1.00 0.00 C ATOM 995 O LEU A 67 3.583 5.922 3.584 1.00 0.00 O ATOM 996 CB LEU A 67 1.813 3.145 3.483 1.00 0.00 C ATOM 997 CG LEU A 67 1.840 1.767 2.801 1.00 0.00 C ATOM 998 CD1 LEU A 67 0.403 1.258 2.649 1.00 0.00 C ATOM 999 CD2 LEU A 67 2.498 1.866 1.408 1.00 0.00 C ATOM 0 H LEU A 67 3.072 2.025 5.343 1.00 0.00 H new ATOM 0 HA LEU A 67 3.881 3.454 3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.179 3.107 4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.377 3.883 2.810 1.00 0.00 H new ATOM 0 HG LEU A 67 2.421 1.078 3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.412 0.281 2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.059 1.172 3.633 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.169 1.958 2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.509 0.882 0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.930 2.558 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.520 2.229 1.514 1.00 0.00 H new ATOM 1011 N SER A 68 2.837 5.278 5.546 1.00 0.00 N ATOM 1012 CA SER A 68 2.831 6.677 6.046 1.00 0.00 C ATOM 1013 C SER A 68 4.256 7.218 5.968 1.00 0.00 C ATOM 1014 O SER A 68 4.485 8.355 5.606 1.00 0.00 O ATOM 1015 CB SER A 68 2.350 6.702 7.497 1.00 0.00 C ATOM 1016 OG SER A 68 0.993 6.284 7.548 1.00 0.00 O ATOM 0 H SER A 68 2.526 4.574 6.215 1.00 0.00 H new ATOM 0 HA SER A 68 2.162 7.290 5.443 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.968 6.045 8.109 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.449 7.707 7.908 1.00 0.00 H new ATOM 0 HG SER A 68 0.944 5.315 7.410 1.00 0.00 H new ATOM 1022 N GLY A 69 5.217 6.400 6.300 1.00 0.00 N ATOM 1023 CA GLY A 69 6.635 6.851 6.243 1.00 0.00 C ATOM 1024 C GLY A 69 6.924 7.467 4.871 1.00 0.00 C ATOM 1025 O GLY A 69 7.824 8.269 4.720 1.00 0.00 O ATOM 0 H GLY A 69 5.080 5.437 6.609 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.826 7.582 7.029 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.303 6.008 6.422 1.00 0.00 H new ATOM 1029 N PHE A 70 6.168 7.100 3.866 1.00 0.00 N ATOM 1030 CA PHE A 70 6.404 7.669 2.502 1.00 0.00 C ATOM 1031 C PHE A 70 5.481 8.872 2.280 1.00 0.00 C ATOM 1032 O PHE A 70 5.733 9.702 1.429 1.00 0.00 O ATOM 1033 CB PHE A 70 6.106 6.597 1.442 1.00 0.00 C ATOM 1034 CG PHE A 70 7.274 5.643 1.328 1.00 0.00 C ATOM 1035 CD1 PHE A 70 8.305 5.913 0.422 1.00 0.00 C ATOM 1036 CD2 PHE A 70 7.322 4.491 2.121 1.00 0.00 C ATOM 1037 CE1 PHE A 70 9.385 5.032 0.306 1.00 0.00 C ATOM 1038 CE2 PHE A 70 8.404 3.609 2.007 1.00 0.00 C ATOM 1039 CZ PHE A 70 9.436 3.880 1.099 1.00 0.00 C ATOM 0 H PHE A 70 5.399 6.433 3.930 1.00 0.00 H new ATOM 0 HA PHE A 70 7.443 7.988 2.418 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.203 6.049 1.711 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.917 7.070 0.478 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.267 6.803 -0.189 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.526 4.282 2.820 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.179 5.241 -0.395 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.443 2.720 2.619 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.271 3.200 1.011 1.00 0.00 H new ATOM 1049 N CYS A 71 4.418 8.978 3.040 1.00 0.00 N ATOM 1050 CA CYS A 71 3.478 10.134 2.876 1.00 0.00 C ATOM 1051 C CYS A 71 3.029 10.645 4.261 1.00 0.00 C ATOM 1052 O CYS A 71 2.164 10.047 4.864 1.00 0.00 O ATOM 1053 CB CYS A 71 2.232 9.688 2.098 1.00 0.00 C ATOM 1054 SG CYS A 71 1.367 11.160 1.489 1.00 0.00 S ATOM 0 H CYS A 71 4.159 8.313 3.769 1.00 0.00 H new ATOM 0 HA CYS A 71 3.994 10.926 2.333 1.00 0.00 H new ATOM 0 HB2 CYS A 71 2.517 9.046 1.265 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.575 9.103 2.741 1.00 0.00 H new ATOM 1059 N PRO A 72 3.588 11.738 4.768 1.00 0.00 N ATOM 1060 CA PRO A 72 3.163 12.293 6.101 1.00 0.00 C ATOM 1061 C PRO A 72 1.657 12.612 6.160 1.00 0.00 C ATOM 1062 O PRO A 72 1.248 13.609 6.722 1.00 0.00 O ATOM 1063 CB PRO A 72 3.991 13.588 6.185 1.00 0.00 C ATOM 1064 CG PRO A 72 5.129 13.481 5.163 1.00 0.00 C ATOM 1065 CD PRO A 72 4.683 12.490 4.082 1.00 0.00 C ATOM 0 HA PRO A 72 3.325 11.591 6.919 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.366 14.456 5.972 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.391 13.722 7.190 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.344 14.456 4.725 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.045 13.138 5.643 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.327 12.999 3.186 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.496 11.833 3.773 1.00 0.00 H new ATOM 1073 N HIS A 73 0.841 11.803 5.550 1.00 0.00 N ATOM 1074 CA HIS A 73 -0.623 12.077 5.524 1.00 0.00 C ATOM 1075 C HIS A 73 -1.341 11.379 6.687 1.00 0.00 C ATOM 1076 O HIS A 73 -1.622 10.198 6.635 1.00 0.00 O ATOM 1077 CB HIS A 73 -1.178 11.549 4.178 1.00 0.00 C ATOM 1078 CG HIS A 73 -2.038 12.585 3.518 1.00 0.00 C ATOM 1079 ND1 HIS A 73 -3.406 12.643 3.708 1.00 0.00 N ATOM 1080 CD2 HIS A 73 -1.727 13.605 2.665 1.00 0.00 C ATOM 1081 CE1 HIS A 73 -3.871 13.671 2.980 1.00 0.00 C ATOM 1082 NE2 HIS A 73 -2.888 14.296 2.321 1.00 0.00 N ATOM 0 H HIS A 73 1.127 10.954 5.063 1.00 0.00 H new ATOM 0 HA HIS A 73 -0.794 13.149 5.627 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.353 11.280 3.519 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.758 10.642 4.349 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -0.734 13.840 2.311 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.911 13.958 2.932 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.970 15.102 1.702 1.00 0.00 H new ATOM 1090 N LYS A 74 -1.692 12.110 7.709 1.00 0.00 N ATOM 1091 CA LYS A 74 -2.448 11.485 8.825 1.00 0.00 C ATOM 1092 C LYS A 74 -3.904 11.412 8.372 1.00 0.00 C ATOM 1093 O LYS A 74 -4.654 12.360 8.497 1.00 0.00 O ATOM 1094 CB LYS A 74 -2.327 12.346 10.084 1.00 0.00 C ATOM 1095 CG LYS A 74 -0.896 12.259 10.616 1.00 0.00 C ATOM 1096 CD LYS A 74 -0.733 13.191 11.824 1.00 0.00 C ATOM 1097 CE LYS A 74 -1.585 12.695 13.008 1.00 0.00 C ATOM 1098 NZ LYS A 74 -2.919 13.359 12.969 1.00 0.00 N ATOM 0 H LYS A 74 -1.489 13.104 7.818 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.061 10.494 9.063 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.581 13.381 9.857 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.031 12.004 10.842 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.667 11.233 10.903 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.190 12.536 9.833 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.316 13.236 12.117 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.032 14.203 11.552 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.703 11.613 12.957 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.083 12.917 13.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.048 13.929 13.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.976 13.976 12.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.665 12.636 12.917 1.00 0.00 H new ATOM 1112 N VAL A 75 -4.297 10.306 7.802 1.00 0.00 N ATOM 1113 CA VAL A 75 -5.691 10.176 7.285 1.00 0.00 C ATOM 1114 C VAL A 75 -6.580 9.488 8.322 1.00 0.00 C ATOM 1115 O VAL A 75 -6.271 8.422 8.816 1.00 0.00 O ATOM 1116 CB VAL A 75 -5.666 9.329 6.005 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -7.070 9.252 5.391 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -4.711 9.959 4.984 1.00 0.00 C ATOM 0 H VAL A 75 -3.710 9.482 7.671 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.091 11.168 7.078 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.327 8.325 6.260 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.038 8.648 4.484 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.755 8.796 6.106 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.416 10.256 5.146 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.697 9.354 4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.050 10.967 4.743 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.707 10.005 5.405 1.00 0.00 H new ATOM 1128 N SER A 76 -7.702 10.084 8.628 1.00 0.00 N ATOM 1129 CA SER A 76 -8.650 9.472 9.604 1.00 0.00 C ATOM 1130 C SER A 76 -9.770 8.792 8.813 1.00 0.00 C ATOM 1131 O SER A 76 -9.989 9.091 7.656 1.00 0.00 O ATOM 1132 CB SER A 76 -9.245 10.563 10.495 1.00 0.00 C ATOM 1133 OG SER A 76 -8.232 11.074 11.351 1.00 0.00 O ATOM 0 H SER A 76 -8.005 10.977 8.239 1.00 0.00 H new ATOM 0 HA SER A 76 -8.132 8.747 10.232 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.658 11.364 9.882 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.067 10.158 11.086 1.00 0.00 H new ATOM 0 HG SER A 76 -8.610 11.775 11.922 1.00 0.00 H new ATOM 1139 N ALA A 77 -10.479 7.878 9.414 1.00 0.00 N ATOM 1140 CA ALA A 77 -11.573 7.190 8.672 1.00 0.00 C ATOM 1141 C ALA A 77 -12.575 8.226 8.161 1.00 0.00 C ATOM 1142 O ALA A 77 -13.507 7.900 7.452 1.00 0.00 O ATOM 1143 CB ALA A 77 -12.288 6.212 9.605 1.00 0.00 C ATOM 0 H ALA A 77 -10.350 7.579 10.381 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.149 6.645 7.828 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.088 5.709 9.061 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.576 5.471 9.970 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.710 6.757 10.449 1.00 0.00 H new ATOM 1149 N GLY A 78 -12.393 9.473 8.518 1.00 0.00 N ATOM 1150 CA GLY A 78 -13.335 10.542 8.059 1.00 0.00 C ATOM 1151 C GLY A 78 -12.685 11.367 6.944 1.00 0.00 C ATOM 1152 O GLY A 78 -13.360 11.929 6.105 1.00 0.00 O ATOM 0 H GLY A 78 -11.629 9.799 9.110 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.260 10.093 7.699 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.599 11.189 8.895 1.00 0.00 H new ATOM 1156 N GLN A 79 -11.380 11.451 6.929 1.00 0.00 N ATOM 1157 CA GLN A 79 -10.691 12.248 5.867 1.00 0.00 C ATOM 1158 C GLN A 79 -10.350 11.348 4.676 1.00 0.00 C ATOM 1159 O GLN A 79 -9.744 10.305 4.826 1.00 0.00 O ATOM 1160 CB GLN A 79 -9.410 12.857 6.443 1.00 0.00 C ATOM 1161 CG GLN A 79 -9.780 13.951 7.449 1.00 0.00 C ATOM 1162 CD GLN A 79 -8.509 14.549 8.055 1.00 0.00 C ATOM 1163 OE1 GLN A 79 -7.459 13.940 8.019 1.00 0.00 O ATOM 1164 NE2 GLN A 79 -8.562 15.728 8.614 1.00 0.00 N ATOM 0 H GLN A 79 -10.761 11.003 7.605 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.352 13.045 5.527 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.813 12.086 6.930 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.799 13.274 5.642 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.360 14.731 6.955 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.409 13.536 8.237 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.444 16.239 8.644 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.721 16.138 9.021 1.00 0.00 H new ATOM 1173 N PHE A 80 -10.739 11.752 3.492 1.00 0.00 N ATOM 1174 CA PHE A 80 -10.451 10.944 2.263 1.00 0.00 C ATOM 1175 C PHE A 80 -9.827 11.853 1.202 1.00 0.00 C ATOM 1176 O PHE A 80 -10.092 13.038 1.169 1.00 0.00 O ATOM 1177 CB PHE A 80 -11.757 10.358 1.730 1.00 0.00 C ATOM 1178 CG PHE A 80 -12.287 9.343 2.714 1.00 0.00 C ATOM 1179 CD1 PHE A 80 -11.727 8.062 2.764 1.00 0.00 C ATOM 1180 CD2 PHE A 80 -13.338 9.682 3.576 1.00 0.00 C ATOM 1181 CE1 PHE A 80 -12.217 7.118 3.674 1.00 0.00 C ATOM 1182 CE2 PHE A 80 -13.829 8.737 4.486 1.00 0.00 C ATOM 1183 CZ PHE A 80 -13.268 7.455 4.535 1.00 0.00 C ATOM 0 H PHE A 80 -11.250 12.618 3.321 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.761 10.135 2.503 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -12.489 11.151 1.578 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.589 9.889 0.761 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.916 7.801 2.100 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -13.769 10.671 3.539 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.784 6.129 3.712 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -14.640 8.997 5.150 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.646 6.726 5.237 1.00 0.00 H new ATOM 1193 N SER A 81 -8.981 11.314 0.349 1.00 0.00 N ATOM 1194 CA SER A 81 -8.318 12.155 -0.705 1.00 0.00 C ATOM 1195 C SER A 81 -8.591 11.612 -2.118 1.00 0.00 C ATOM 1196 O SER A 81 -8.920 12.358 -3.017 1.00 0.00 O ATOM 1197 CB SER A 81 -6.810 12.156 -0.460 1.00 0.00 C ATOM 1198 OG SER A 81 -6.539 12.784 0.787 1.00 0.00 O ATOM 0 H SER A 81 -8.721 10.328 0.338 1.00 0.00 H new ATOM 0 HA SER A 81 -8.725 13.164 -0.642 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.429 11.135 -0.457 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.299 12.684 -1.265 1.00 0.00 H new ATOM 0 HG SER A 81 -5.574 12.774 0.955 1.00 0.00 H new ATOM 1204 N SER A 82 -8.409 10.331 -2.338 1.00 0.00 N ATOM 1205 CA SER A 82 -8.608 9.764 -3.717 1.00 0.00 C ATOM 1206 C SER A 82 -9.979 9.095 -3.881 1.00 0.00 C ATOM 1207 O SER A 82 -10.319 8.646 -4.958 1.00 0.00 O ATOM 1208 CB SER A 82 -7.518 8.726 -3.985 1.00 0.00 C ATOM 1209 OG SER A 82 -7.629 8.265 -5.325 1.00 0.00 O ATOM 0 H SER A 82 -8.132 9.653 -1.627 1.00 0.00 H new ATOM 0 HA SER A 82 -8.554 10.589 -4.427 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.534 9.164 -3.819 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.616 7.891 -3.291 1.00 0.00 H new ATOM 0 HG SER A 82 -8.562 8.333 -5.618 1.00 0.00 H new ATOM 1215 N LEU A 83 -10.771 9.005 -2.849 1.00 0.00 N ATOM 1216 CA LEU A 83 -12.106 8.342 -3.004 1.00 0.00 C ATOM 1217 C LEU A 83 -13.141 9.366 -3.492 1.00 0.00 C ATOM 1218 O LEU A 83 -14.326 9.209 -3.276 1.00 0.00 O ATOM 1219 CB LEU A 83 -12.547 7.741 -1.657 1.00 0.00 C ATOM 1220 CG LEU A 83 -11.942 6.343 -1.491 1.00 0.00 C ATOM 1221 CD1 LEU A 83 -10.419 6.437 -1.552 1.00 0.00 C ATOM 1222 CD2 LEU A 83 -12.365 5.759 -0.142 1.00 0.00 C ATOM 0 H LEU A 83 -10.560 9.355 -1.915 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.028 7.541 -3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.227 8.386 -0.838 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.635 7.685 -1.612 1.00 0.00 H new ATOM 0 HG LEU A 83 -12.298 5.696 -2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.988 5.443 -1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.118 6.851 -2.514 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.062 7.085 -0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.934 4.765 -0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.011 6.405 0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -13.452 5.691 -0.100 1.00 0.00 H new ATOM 1234 N HIS A 84 -12.709 10.404 -4.162 1.00 0.00 N ATOM 1235 CA HIS A 84 -13.685 11.413 -4.669 1.00 0.00 C ATOM 1236 C HIS A 84 -14.407 10.830 -5.880 1.00 0.00 C ATOM 1237 O HIS A 84 -15.596 11.004 -6.058 1.00 0.00 O ATOM 1238 CB HIS A 84 -12.950 12.679 -5.110 1.00 0.00 C ATOM 1239 CG HIS A 84 -12.058 13.158 -4.006 1.00 0.00 C ATOM 1240 ND1 HIS A 84 -12.194 12.718 -2.702 1.00 0.00 N ATOM 1241 CD2 HIS A 84 -11.008 14.039 -4.001 1.00 0.00 C ATOM 1242 CE1 HIS A 84 -11.246 13.328 -1.971 1.00 0.00 C ATOM 1243 NE2 HIS A 84 -10.496 14.147 -2.713 1.00 0.00 N ATOM 0 H HIS A 84 -11.731 10.595 -4.378 1.00 0.00 H new ATOM 0 HA HIS A 84 -14.391 11.659 -3.876 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -12.360 12.476 -6.004 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -13.669 13.455 -5.372 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -10.635 14.568 -4.865 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.107 13.175 -0.911 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -9.716 14.726 -2.402 1.00 0.00 H new ATOM 1251 N VAL A 85 -13.686 10.139 -6.715 1.00 0.00 N ATOM 1252 CA VAL A 85 -14.307 9.537 -7.923 1.00 0.00 C ATOM 1253 C VAL A 85 -15.079 8.283 -7.520 1.00 0.00 C ATOM 1254 O VAL A 85 -14.750 7.622 -6.554 1.00 0.00 O ATOM 1255 CB VAL A 85 -13.218 9.173 -8.932 1.00 0.00 C ATOM 1256 CG1 VAL A 85 -13.868 8.704 -10.235 1.00 0.00 C ATOM 1257 CG2 VAL A 85 -12.354 10.406 -9.209 1.00 0.00 C ATOM 0 H VAL A 85 -12.686 9.965 -6.611 1.00 0.00 H new ATOM 0 HA VAL A 85 -14.991 10.253 -8.379 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.597 8.374 -8.528 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -13.092 8.444 -10.955 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.488 7.829 -10.038 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.487 9.504 -10.641 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.576 10.151 -9.928 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -12.977 11.203 -9.616 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.893 10.744 -8.281 1.00 0.00 H new ATOM 1267 N ARG A 86 -16.112 7.956 -8.245 1.00 0.00 N ATOM 1268 CA ARG A 86 -16.920 6.753 -7.900 1.00 0.00 C ATOM 1269 C ARG A 86 -16.341 5.537 -8.626 1.00 0.00 C ATOM 1270 O ARG A 86 -16.933 5.004 -9.543 1.00 0.00 O ATOM 1271 CB ARG A 86 -18.363 6.976 -8.359 1.00 0.00 C ATOM 1272 CG ARG A 86 -18.992 8.109 -7.544 1.00 0.00 C ATOM 1273 CD ARG A 86 -20.434 8.328 -8.008 1.00 0.00 C ATOM 1274 NE ARG A 86 -20.996 9.541 -7.349 1.00 0.00 N ATOM 1275 CZ ARG A 86 -22.071 10.107 -7.830 1.00 0.00 C ATOM 1276 NH1 ARG A 86 -22.651 9.616 -8.892 1.00 0.00 N ATOM 1277 NH2 ARG A 86 -22.565 11.167 -7.250 1.00 0.00 N ATOM 0 H ARG A 86 -16.433 8.472 -9.064 1.00 0.00 H new ATOM 0 HA ARG A 86 -16.897 6.583 -6.824 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -18.384 7.223 -9.420 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -18.941 6.060 -8.234 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -18.973 7.862 -6.482 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -18.415 9.025 -7.668 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -20.464 8.444 -9.091 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -21.041 7.456 -7.764 1.00 0.00 H new ATOM 0 HE ARG A 86 -20.541 9.929 -6.523 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -22.265 8.789 -9.348 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -23.490 10.059 -9.266 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -22.112 11.553 -6.422 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -23.404 11.609 -7.625 1.00 0.00 H new ATOM 1291 N ASP A 87 -15.180 5.098 -8.218 1.00 0.00 N ATOM 1292 CA ASP A 87 -14.544 3.919 -8.871 1.00 0.00 C ATOM 1293 C ASP A 87 -15.128 2.635 -8.281 1.00 0.00 C ATOM 1294 O ASP A 87 -15.847 2.663 -7.303 1.00 0.00 O ATOM 1295 CB ASP A 87 -13.033 3.952 -8.626 1.00 0.00 C ATOM 1296 CG ASP A 87 -12.411 5.101 -9.422 1.00 0.00 C ATOM 1297 OD1 ASP A 87 -13.058 5.579 -10.340 1.00 0.00 O ATOM 1298 OD2 ASP A 87 -11.300 5.487 -9.099 1.00 0.00 O ATOM 0 H ASP A 87 -14.642 5.509 -7.455 1.00 0.00 H new ATOM 0 HA ASP A 87 -14.738 3.949 -9.943 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.829 4.080 -7.563 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.585 3.004 -8.925 1.00 0.00 H new ATOM 1303 N THR A 88 -14.829 1.506 -8.866 1.00 0.00 N ATOM 1304 CA THR A 88 -15.374 0.221 -8.335 1.00 0.00 C ATOM 1305 C THR A 88 -14.395 -0.361 -7.312 1.00 0.00 C ATOM 1306 O THR A 88 -13.218 -0.059 -7.324 1.00 0.00 O ATOM 1307 CB THR A 88 -15.546 -0.771 -9.488 1.00 0.00 C ATOM 1308 OG1 THR A 88 -14.267 -1.178 -9.954 1.00 0.00 O ATOM 1309 CG2 THR A 88 -16.317 -0.104 -10.629 1.00 0.00 C ATOM 0 H THR A 88 -14.232 1.417 -9.688 1.00 0.00 H new ATOM 0 HA THR A 88 -16.338 0.402 -7.859 1.00 0.00 H new ATOM 0 HB THR A 88 -16.101 -1.641 -9.138 1.00 0.00 H new ATOM 0 HG1 THR A 88 -14.375 -1.815 -10.691 1.00 0.00 H new ATOM 0 HG21 THR A 88 -16.438 -0.812 -11.449 1.00 0.00 H new ATOM 0 HG22 THR A 88 -17.298 0.209 -10.271 1.00 0.00 H new ATOM 0 HG23 THR A 88 -15.765 0.767 -10.981 1.00 0.00 H new ATOM 1317 N LYS A 89 -14.874 -1.189 -6.422 1.00 0.00 N ATOM 1318 CA LYS A 89 -13.971 -1.786 -5.392 1.00 0.00 C ATOM 1319 C LYS A 89 -13.299 -3.040 -5.949 1.00 0.00 C ATOM 1320 O LYS A 89 -13.777 -3.654 -6.882 1.00 0.00 O ATOM 1321 CB LYS A 89 -14.780 -2.196 -4.161 1.00 0.00 C ATOM 1322 CG LYS A 89 -15.479 -0.984 -3.554 1.00 0.00 C ATOM 1323 CD LYS A 89 -16.274 -1.438 -2.329 1.00 0.00 C ATOM 1324 CE LYS A 89 -17.048 -0.255 -1.756 1.00 0.00 C ATOM 1325 NZ LYS A 89 -17.896 0.335 -2.828 1.00 0.00 N ATOM 0 H LYS A 89 -15.850 -1.478 -6.363 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.222 -1.041 -5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.518 -2.948 -4.438 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -14.122 -2.652 -3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.746 -0.228 -3.270 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -16.143 -0.525 -4.286 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -16.962 -2.237 -2.605 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.600 -1.844 -1.575 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -17.669 -0.580 -0.921 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -16.358 0.494 -1.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -17.481 1.235 -3.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -17.948 -0.323 -3.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -18.853 0.506 -2.459 1.00 0.00 H new ATOM 1339 N ILE A 90 -12.194 -3.430 -5.366 1.00 0.00 N ATOM 1340 CA ILE A 90 -11.474 -4.656 -5.827 1.00 0.00 C ATOM 1341 C ILE A 90 -11.029 -5.462 -4.603 1.00 0.00 C ATOM 1342 O ILE A 90 -10.946 -4.946 -3.506 1.00 0.00 O ATOM 1343 CB ILE A 90 -10.262 -4.249 -6.667 1.00 0.00 C ATOM 1344 CG1 ILE A 90 -9.362 -3.314 -5.854 1.00 0.00 C ATOM 1345 CG2 ILE A 90 -10.746 -3.527 -7.926 1.00 0.00 C ATOM 1346 CD1 ILE A 90 -8.137 -2.929 -6.689 1.00 0.00 C ATOM 0 H ILE A 90 -11.755 -2.946 -4.582 1.00 0.00 H new ATOM 0 HA ILE A 90 -12.134 -5.271 -6.440 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.695 -5.137 -6.947 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -9.915 -2.420 -5.566 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -9.048 -3.805 -4.933 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -9.887 -3.234 -8.530 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -11.386 -4.193 -8.504 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -11.310 -2.639 -7.642 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.497 -2.263 -6.110 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.581 -3.828 -6.954 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.461 -2.421 -7.598 1.00 0.00 H new ATOM 1358 N GLU A 91 -10.751 -6.724 -4.778 1.00 0.00 N ATOM 1359 CA GLU A 91 -10.323 -7.562 -3.621 1.00 0.00 C ATOM 1360 C GLU A 91 -8.978 -7.058 -3.093 1.00 0.00 C ATOM 1361 O GLU A 91 -8.136 -6.608 -3.844 1.00 0.00 O ATOM 1362 CB GLU A 91 -10.182 -9.015 -4.078 1.00 0.00 C ATOM 1363 CG GLU A 91 -11.567 -9.591 -4.381 1.00 0.00 C ATOM 1364 CD GLU A 91 -11.428 -11.043 -4.841 1.00 0.00 C ATOM 1365 OE1 GLU A 91 -10.306 -11.466 -5.071 1.00 0.00 O ATOM 1366 OE2 GLU A 91 -12.445 -11.706 -4.964 1.00 0.00 O ATOM 0 H GLU A 91 -10.801 -7.212 -5.672 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.067 -7.498 -2.827 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.552 -9.069 -4.966 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.692 -9.605 -3.303 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.196 -9.539 -3.492 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.057 -8.999 -5.154 1.00 0.00 H new ATOM 1373 N VAL A 92 -8.771 -7.124 -1.806 1.00 0.00 N ATOM 1374 CA VAL A 92 -7.480 -6.642 -1.234 1.00 0.00 C ATOM 1375 C VAL A 92 -6.320 -7.398 -1.891 1.00 0.00 C ATOM 1376 O VAL A 92 -5.290 -6.830 -2.197 1.00 0.00 O ATOM 1377 CB VAL A 92 -7.463 -6.908 0.276 1.00 0.00 C ATOM 1378 CG1 VAL A 92 -6.071 -6.604 0.839 1.00 0.00 C ATOM 1379 CG2 VAL A 92 -8.502 -6.021 0.971 1.00 0.00 C ATOM 0 H VAL A 92 -9.438 -7.490 -1.127 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.375 -5.573 -1.420 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.705 -7.955 0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.063 -6.794 1.912 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.334 -7.243 0.352 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.824 -5.559 0.654 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.486 -6.214 2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.267 -4.973 0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.493 -6.245 0.577 1.00 0.00 H new ATOM 1389 N ALA A 93 -6.477 -8.676 -2.101 1.00 0.00 N ATOM 1390 CA ALA A 93 -5.382 -9.472 -2.728 1.00 0.00 C ATOM 1391 C ALA A 93 -4.940 -8.809 -4.035 1.00 0.00 C ATOM 1392 O ALA A 93 -3.766 -8.754 -4.346 1.00 0.00 O ATOM 1393 CB ALA A 93 -5.885 -10.886 -3.019 1.00 0.00 C ATOM 0 H ALA A 93 -7.317 -9.205 -1.866 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.534 -9.518 -2.045 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -5.086 -11.469 -3.477 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.193 -11.361 -2.088 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.735 -10.837 -3.700 1.00 0.00 H new ATOM 1399 N GLN A 94 -5.866 -8.306 -4.802 1.00 0.00 N ATOM 1400 CA GLN A 94 -5.489 -7.650 -6.086 1.00 0.00 C ATOM 1401 C GLN A 94 -4.868 -6.288 -5.792 1.00 0.00 C ATOM 1402 O GLN A 94 -3.938 -5.860 -6.447 1.00 0.00 O ATOM 1403 CB GLN A 94 -6.738 -7.455 -6.945 1.00 0.00 C ATOM 1404 CG GLN A 94 -7.234 -8.811 -7.443 1.00 0.00 C ATOM 1405 CD GLN A 94 -8.484 -8.611 -8.299 1.00 0.00 C ATOM 1406 OE1 GLN A 94 -9.104 -7.567 -8.256 1.00 0.00 O ATOM 1407 NE2 GLN A 94 -8.886 -9.577 -9.079 1.00 0.00 N ATOM 0 H GLN A 94 -6.865 -8.320 -4.597 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.773 -8.277 -6.618 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.518 -6.962 -6.364 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.512 -6.806 -7.791 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.456 -9.304 -8.026 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.459 -9.461 -6.598 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.365 -10.453 -9.115 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.721 -9.456 -9.653 1.00 0.00 H new ATOM 1416 N PHE A 95 -5.379 -5.604 -4.811 1.00 0.00 N ATOM 1417 CA PHE A 95 -4.832 -4.266 -4.464 1.00 0.00 C ATOM 1418 C PHE A 95 -3.357 -4.388 -4.084 1.00 0.00 C ATOM 1419 O PHE A 95 -2.522 -3.640 -4.552 1.00 0.00 O ATOM 1420 CB PHE A 95 -5.608 -3.707 -3.274 1.00 0.00 C ATOM 1421 CG PHE A 95 -5.042 -2.363 -2.901 1.00 0.00 C ATOM 1422 CD1 PHE A 95 -3.972 -2.286 -2.002 1.00 0.00 C ATOM 1423 CD2 PHE A 95 -5.577 -1.197 -3.457 1.00 0.00 C ATOM 1424 CE1 PHE A 95 -3.437 -1.043 -1.658 1.00 0.00 C ATOM 1425 CE2 PHE A 95 -5.041 0.048 -3.113 1.00 0.00 C ATOM 1426 CZ PHE A 95 -3.971 0.124 -2.213 1.00 0.00 C ATOM 0 H PHE A 95 -6.157 -5.916 -4.230 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.928 -3.602 -5.323 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.664 -3.613 -3.525 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.541 -4.391 -2.428 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.560 -3.188 -1.574 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.403 -1.258 -4.151 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.612 -0.983 -0.964 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.452 0.950 -3.541 1.00 0.00 H new ATOM 0 HZ PHE A 95 -3.557 1.086 -1.947 1.00 0.00 H new ATOM 1436 N VAL A 96 -3.028 -5.316 -3.231 1.00 0.00 N ATOM 1437 CA VAL A 96 -1.606 -5.470 -2.817 1.00 0.00 C ATOM 1438 C VAL A 96 -0.745 -5.833 -4.030 1.00 0.00 C ATOM 1439 O VAL A 96 0.294 -5.248 -4.262 1.00 0.00 O ATOM 1440 CB VAL A 96 -1.495 -6.586 -1.777 1.00 0.00 C ATOM 1441 CG1 VAL A 96 -0.027 -6.782 -1.397 1.00 0.00 C ATOM 1442 CG2 VAL A 96 -2.299 -6.212 -0.531 1.00 0.00 C ATOM 0 H VAL A 96 -3.680 -5.973 -2.803 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.257 -4.529 -2.392 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.891 -7.511 -2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.054 -7.577 -0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.545 -7.053 -2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.368 -5.856 -0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.217 -7.009 0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.908 -5.286 -0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.346 -6.074 -0.801 1.00 0.00 H new ATOM 1452 N LYS A 97 -1.159 -6.807 -4.793 1.00 0.00 N ATOM 1453 CA LYS A 97 -0.352 -7.223 -5.976 1.00 0.00 C ATOM 1454 C LYS A 97 -0.231 -6.066 -6.978 1.00 0.00 C ATOM 1455 O LYS A 97 0.827 -5.819 -7.523 1.00 0.00 O ATOM 1456 CB LYS A 97 -1.032 -8.418 -6.648 1.00 0.00 C ATOM 1457 CG LYS A 97 -0.903 -9.644 -5.741 1.00 0.00 C ATOM 1458 CD LYS A 97 -1.577 -10.849 -6.399 1.00 0.00 C ATOM 1459 CE LYS A 97 -1.443 -12.069 -5.485 1.00 0.00 C ATOM 1460 NZ LYS A 97 -2.122 -11.795 -4.186 1.00 0.00 N ATOM 0 H LYS A 97 -2.021 -7.333 -4.649 1.00 0.00 H new ATOM 0 HA LYS A 97 0.649 -7.501 -5.646 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.083 -8.197 -6.834 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.572 -8.617 -7.616 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.149 -9.861 -5.555 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.363 -9.442 -4.774 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.629 -10.634 -6.585 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.118 -11.053 -7.366 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.886 -12.944 -5.961 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.390 -12.296 -5.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.655 -12.637 -3.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.410 -11.563 -3.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.776 -10.994 -4.298 1.00 0.00 H new ATOM 1474 N ASP A 98 -1.296 -5.352 -7.228 1.00 0.00 N ATOM 1475 CA ASP A 98 -1.211 -4.223 -8.201 1.00 0.00 C ATOM 1476 C ASP A 98 -0.180 -3.209 -7.705 1.00 0.00 C ATOM 1477 O ASP A 98 0.607 -2.681 -8.466 1.00 0.00 O ATOM 1478 CB ASP A 98 -2.580 -3.549 -8.318 1.00 0.00 C ATOM 1479 CG ASP A 98 -3.550 -4.488 -9.038 1.00 0.00 C ATOM 1480 OD1 ASP A 98 -3.080 -5.348 -9.764 1.00 0.00 O ATOM 1481 OD2 ASP A 98 -4.745 -4.330 -8.852 1.00 0.00 O ATOM 0 H ASP A 98 -2.213 -5.499 -6.806 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.910 -4.600 -9.178 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.962 -3.304 -7.327 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.490 -2.611 -8.866 1.00 0.00 H new ATOM 1486 N LEU A 99 -0.173 -2.946 -6.431 1.00 0.00 N ATOM 1487 CA LEU A 99 0.811 -1.984 -5.864 1.00 0.00 C ATOM 1488 C LEU A 99 2.226 -2.550 -6.024 1.00 0.00 C ATOM 1489 O LEU A 99 3.176 -1.827 -6.250 1.00 0.00 O ATOM 1490 CB LEU A 99 0.494 -1.756 -4.381 1.00 0.00 C ATOM 1491 CG LEU A 99 1.499 -0.770 -3.763 1.00 0.00 C ATOM 1492 CD1 LEU A 99 1.444 0.580 -4.497 1.00 0.00 C ATOM 1493 CD2 LEU A 99 1.145 -0.564 -2.285 1.00 0.00 C ATOM 0 H LEU A 99 -0.812 -3.359 -5.752 1.00 0.00 H new ATOM 0 HA LEU A 99 0.750 -1.033 -6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.519 -1.367 -4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.529 -2.705 -3.845 1.00 0.00 H new ATOM 0 HG LEU A 99 2.506 -1.176 -3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.161 1.268 -4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.691 0.433 -5.548 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.441 0.998 -4.415 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.851 0.134 -1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.136 -0.160 -2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.196 -1.519 -1.762 1.00 0.00 H new ATOM 1505 N LEU A 100 2.368 -3.840 -5.883 1.00 0.00 N ATOM 1506 CA LEU A 100 3.715 -4.472 -5.997 1.00 0.00 C ATOM 1507 C LEU A 100 4.358 -4.155 -7.355 1.00 0.00 C ATOM 1508 O LEU A 100 5.537 -3.867 -7.427 1.00 0.00 O ATOM 1509 CB LEU A 100 3.568 -5.990 -5.814 1.00 0.00 C ATOM 1510 CG LEU A 100 4.903 -6.702 -6.064 1.00 0.00 C ATOM 1511 CD1 LEU A 100 6.009 -6.081 -5.199 1.00 0.00 C ATOM 1512 CD2 LEU A 100 4.745 -8.183 -5.706 1.00 0.00 C ATOM 0 H LEU A 100 1.604 -4.488 -5.692 1.00 0.00 H new ATOM 0 HA LEU A 100 4.367 -4.069 -5.222 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.219 -6.207 -4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.813 -6.372 -6.501 1.00 0.00 H new ATOM 0 HG LEU A 100 5.180 -6.595 -7.113 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.951 -6.597 -5.387 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.117 -5.026 -5.449 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.746 -6.179 -4.146 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.688 -8.702 -5.879 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.467 -8.276 -4.656 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.967 -8.627 -6.328 1.00 0.00 H new ATOM 1524 N LEU A 101 3.623 -4.202 -8.435 1.00 0.00 N ATOM 1525 CA LEU A 101 4.269 -3.897 -9.753 1.00 0.00 C ATOM 1526 C LEU A 101 4.817 -2.464 -9.732 1.00 0.00 C ATOM 1527 O LEU A 101 5.885 -2.193 -10.242 1.00 0.00 O ATOM 1528 CB LEU A 101 3.255 -4.010 -10.907 1.00 0.00 C ATOM 1529 CG LEU A 101 2.820 -5.470 -11.161 1.00 0.00 C ATOM 1530 CD1 LEU A 101 4.038 -6.390 -11.352 1.00 0.00 C ATOM 1531 CD2 LEU A 101 1.970 -5.971 -9.989 1.00 0.00 C ATOM 0 H LEU A 101 2.630 -4.431 -8.468 1.00 0.00 H new ATOM 0 HA LEU A 101 5.072 -4.617 -9.911 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.377 -3.406 -10.677 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.695 -3.600 -11.816 1.00 0.00 H new ATOM 0 HG LEU A 101 2.230 -5.493 -12.077 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.699 -7.411 -11.529 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.622 -6.048 -12.207 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.658 -6.364 -10.456 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.666 -7.001 -10.174 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.554 -5.924 -9.070 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.084 -5.344 -9.888 1.00 0.00 H new ATOM 1543 N HIS A 102 4.093 -1.539 -9.164 1.00 0.00 N ATOM 1544 CA HIS A 102 4.583 -0.129 -9.128 1.00 0.00 C ATOM 1545 C HIS A 102 5.781 0.017 -8.183 1.00 0.00 C ATOM 1546 O HIS A 102 6.705 0.745 -8.461 1.00 0.00 O ATOM 1547 CB HIS A 102 3.454 0.807 -8.674 1.00 0.00 C ATOM 1548 CG HIS A 102 2.519 1.063 -9.823 1.00 0.00 C ATOM 1549 ND1 HIS A 102 2.709 2.118 -10.701 1.00 0.00 N ATOM 1550 CD2 HIS A 102 1.394 0.411 -10.255 1.00 0.00 C ATOM 1551 CE1 HIS A 102 1.722 2.070 -11.611 1.00 0.00 C ATOM 1552 NE2 HIS A 102 0.890 1.048 -11.387 1.00 0.00 N ATOM 0 H HIS A 102 3.186 -1.696 -8.724 1.00 0.00 H new ATOM 0 HA HIS A 102 4.903 0.142 -10.134 1.00 0.00 H new ATOM 0 HB2 HIS A 102 2.910 0.360 -7.842 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.870 1.748 -8.314 1.00 0.00 H new ATOM 0 HD2 HIS A 102 0.964 -0.463 -9.789 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.614 2.772 -12.425 1.00 0.00 H new ATOM 0 HE2 HIS A 102 0.065 0.790 -11.928 1.00 0.00 H new ATOM 1560 N LEU A 103 5.769 -0.632 -7.056 1.00 0.00 N ATOM 1561 CA LEU A 103 6.910 -0.460 -6.109 1.00 0.00 C ATOM 1562 C LEU A 103 8.225 -0.864 -6.781 1.00 0.00 C ATOM 1563 O LEU A 103 9.202 -0.143 -6.724 1.00 0.00 O ATOM 1564 CB LEU A 103 6.687 -1.331 -4.870 1.00 0.00 C ATOM 1565 CG LEU A 103 5.480 -0.817 -4.069 1.00 0.00 C ATOM 1566 CD1 LEU A 103 5.163 -1.815 -2.951 1.00 0.00 C ATOM 1567 CD2 LEU A 103 5.784 0.564 -3.453 1.00 0.00 C ATOM 0 H LEU A 103 5.032 -1.266 -6.749 1.00 0.00 H new ATOM 0 HA LEU A 103 6.967 0.589 -5.817 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.520 -2.366 -5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.579 -1.320 -4.244 1.00 0.00 H new ATOM 0 HG LEU A 103 4.626 -0.717 -4.739 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.308 -1.459 -2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.929 -2.787 -3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.027 -1.911 -2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.917 0.910 -2.890 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.642 0.484 -2.785 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.008 1.275 -4.248 1.00 0.00 H new ATOM 1579 N LYS A 104 8.270 -1.998 -7.415 1.00 0.00 N ATOM 1580 CA LYS A 104 9.536 -2.420 -8.081 1.00 0.00 C ATOM 1581 C LYS A 104 9.857 -1.487 -9.258 1.00 0.00 C ATOM 1582 O LYS A 104 11.004 -1.291 -9.606 1.00 0.00 O ATOM 1583 CB LYS A 104 9.393 -3.855 -8.588 1.00 0.00 C ATOM 1584 CG LYS A 104 8.212 -3.933 -9.552 1.00 0.00 C ATOM 1585 CD LYS A 104 7.991 -5.388 -9.983 1.00 0.00 C ATOM 1586 CE LYS A 104 7.532 -6.241 -8.786 1.00 0.00 C ATOM 1587 NZ LYS A 104 8.717 -6.893 -8.160 1.00 0.00 N ATOM 0 H LYS A 104 7.491 -2.651 -7.503 1.00 0.00 H new ATOM 0 HA LYS A 104 10.350 -2.366 -7.358 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.308 -4.169 -9.090 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.239 -4.535 -7.750 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.313 -3.545 -9.073 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.402 -3.310 -10.426 1.00 0.00 H new ATOM 0 HD2 LYS A 104 7.243 -5.429 -10.775 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.914 -5.796 -10.395 1.00 0.00 H new ATOM 0 HE2 LYS A 104 7.019 -5.616 -8.055 1.00 0.00 H new ATOM 0 HE3 LYS A 104 6.819 -6.997 -9.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 8.654 -7.923 -8.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.585 -6.542 -8.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.740 -6.670 -7.145 1.00 0.00 H new ATOM 1601 N LYS A 105 8.856 -0.929 -9.890 1.00 0.00 N ATOM 1602 CA LYS A 105 9.117 -0.034 -11.061 1.00 0.00 C ATOM 1603 C LYS A 105 9.847 1.245 -10.620 1.00 0.00 C ATOM 1604 O LYS A 105 10.787 1.677 -11.258 1.00 0.00 O ATOM 1605 CB LYS A 105 7.784 0.331 -11.725 1.00 0.00 C ATOM 1606 CG LYS A 105 8.052 1.224 -12.941 1.00 0.00 C ATOM 1607 CD LYS A 105 6.771 1.371 -13.779 1.00 0.00 C ATOM 1608 CE LYS A 105 5.721 2.217 -13.035 1.00 0.00 C ATOM 1609 NZ LYS A 105 4.852 1.321 -12.221 1.00 0.00 N ATOM 0 H LYS A 105 7.873 -1.053 -9.648 1.00 0.00 H new ATOM 0 HA LYS A 105 9.753 -0.562 -11.772 1.00 0.00 H new ATOM 0 HB2 LYS A 105 7.258 -0.573 -12.032 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.140 0.849 -11.014 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.396 2.205 -12.613 1.00 0.00 H new ATOM 0 HG3 LYS A 105 8.847 0.794 -13.550 1.00 0.00 H new ATOM 0 HD2 LYS A 105 7.009 1.838 -14.735 1.00 0.00 H new ATOM 0 HD3 LYS A 105 6.360 0.385 -13.999 1.00 0.00 H new ATOM 0 HE2 LYS A 105 6.214 2.946 -12.392 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.117 2.778 -13.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 4.435 1.861 -11.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.092 0.937 -12.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.421 0.539 -11.839 1.00 0.00 H new ATOM 1623 N LEU A 106 9.436 1.853 -9.539 1.00 0.00 N ATOM 1624 CA LEU A 106 10.124 3.098 -9.073 1.00 0.00 C ATOM 1625 C LEU A 106 11.597 2.793 -8.764 1.00 0.00 C ATOM 1626 O LEU A 106 12.460 3.631 -8.941 1.00 0.00 O ATOM 1627 CB LEU A 106 9.436 3.646 -7.803 1.00 0.00 C ATOM 1628 CG LEU A 106 8.191 4.505 -8.141 1.00 0.00 C ATOM 1629 CD1 LEU A 106 8.615 5.924 -8.542 1.00 0.00 C ATOM 1630 CD2 LEU A 106 7.375 3.887 -9.285 1.00 0.00 C ATOM 0 H LEU A 106 8.656 1.544 -8.958 1.00 0.00 H new ATOM 0 HA LEU A 106 10.064 3.847 -9.862 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.140 2.814 -7.164 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.147 4.246 -7.236 1.00 0.00 H new ATOM 0 HG LEU A 106 7.569 4.541 -7.246 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.730 6.516 -8.777 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.154 6.389 -7.717 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.262 5.877 -9.418 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.510 4.515 -9.495 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.997 3.815 -10.177 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.039 2.891 -8.995 1.00 0.00 H new ATOM 1642 N PHE A 107 11.892 1.617 -8.282 1.00 0.00 N ATOM 1643 CA PHE A 107 13.308 1.292 -7.942 1.00 0.00 C ATOM 1644 C PHE A 107 14.188 1.405 -9.186 1.00 0.00 C ATOM 1645 O PHE A 107 15.291 1.913 -9.132 1.00 0.00 O ATOM 1646 CB PHE A 107 13.399 -0.133 -7.397 1.00 0.00 C ATOM 1647 CG PHE A 107 14.840 -0.429 -7.056 1.00 0.00 C ATOM 1648 CD1 PHE A 107 15.442 0.229 -5.979 1.00 0.00 C ATOM 1649 CD2 PHE A 107 15.575 -1.353 -7.812 1.00 0.00 C ATOM 1650 CE1 PHE A 107 16.777 -0.032 -5.654 1.00 0.00 C ATOM 1651 CE2 PHE A 107 16.912 -1.616 -7.486 1.00 0.00 C ATOM 1652 CZ PHE A 107 17.513 -0.955 -6.407 1.00 0.00 C ATOM 0 H PHE A 107 11.219 0.870 -8.109 1.00 0.00 H new ATOM 0 HA PHE A 107 13.654 1.998 -7.187 1.00 0.00 H new ATOM 0 HB2 PHE A 107 12.772 -0.240 -6.512 1.00 0.00 H new ATOM 0 HB3 PHE A 107 13.032 -0.845 -8.136 1.00 0.00 H new ATOM 0 HD1 PHE A 107 14.875 0.940 -5.397 1.00 0.00 H new ATOM 0 HD2 PHE A 107 15.111 -1.861 -8.644 1.00 0.00 H new ATOM 0 HE1 PHE A 107 17.240 0.478 -4.822 1.00 0.00 H new ATOM 0 HE2 PHE A 107 17.479 -2.328 -8.067 1.00 0.00 H new ATOM 0 HZ PHE A 107 18.544 -1.157 -6.156 1.00 0.00 H new ATOM 1662 N ARG A 108 13.719 0.934 -10.305 1.00 0.00 N ATOM 1663 CA ARG A 108 14.541 1.012 -11.542 1.00 0.00 C ATOM 1664 C ARG A 108 14.766 2.481 -11.909 1.00 0.00 C ATOM 1665 O ARG A 108 15.754 2.833 -12.524 1.00 0.00 O ATOM 1666 CB ARG A 108 13.824 0.289 -12.681 1.00 0.00 C ATOM 1667 CG ARG A 108 13.813 -1.214 -12.392 1.00 0.00 C ATOM 1668 CD ARG A 108 13.106 -1.949 -13.531 1.00 0.00 C ATOM 1669 NE ARG A 108 11.674 -1.549 -13.574 1.00 0.00 N ATOM 1670 CZ ARG A 108 10.972 -1.764 -14.651 1.00 0.00 C ATOM 1671 NH1 ARG A 108 11.537 -2.291 -15.703 1.00 0.00 N ATOM 1672 NH2 ARG A 108 9.707 -1.446 -14.680 1.00 0.00 N ATOM 0 H ARG A 108 12.803 0.499 -10.417 1.00 0.00 H new ATOM 0 HA ARG A 108 15.506 0.534 -11.373 1.00 0.00 H new ATOM 0 HB2 ARG A 108 12.804 0.660 -12.779 1.00 0.00 H new ATOM 0 HB3 ARG A 108 14.327 0.486 -13.627 1.00 0.00 H new ATOM 0 HG2 ARG A 108 14.834 -1.582 -12.286 1.00 0.00 H new ATOM 0 HG3 ARG A 108 13.304 -1.410 -11.448 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.587 -1.716 -14.481 1.00 0.00 H new ATOM 0 HD3 ARG A 108 13.188 -3.026 -13.388 1.00 0.00 H new ATOM 0 HE ARG A 108 11.242 -1.107 -12.762 1.00 0.00 H new ATOM 0 HH11 ARG A 108 12.527 -2.534 -15.682 1.00 0.00 H new ATOM 0 HH12 ARG A 108 10.988 -2.460 -16.546 1.00 0.00 H new ATOM 0 HH21 ARG A 108 9.267 -1.029 -13.860 1.00 0.00 H new ATOM 0 HH22 ARG A 108 9.158 -1.614 -15.523 1.00 0.00 H new ATOM 1686 N GLU A 109 13.860 3.343 -11.535 1.00 0.00 N ATOM 1687 CA GLU A 109 14.026 4.789 -11.859 1.00 0.00 C ATOM 1688 C GLU A 109 14.983 5.434 -10.854 1.00 0.00 C ATOM 1689 O GLU A 109 15.735 6.329 -11.186 1.00 0.00 O ATOM 1690 CB GLU A 109 12.666 5.487 -11.783 1.00 0.00 C ATOM 1691 CG GLU A 109 11.788 5.030 -12.949 1.00 0.00 C ATOM 1692 CD GLU A 109 10.381 5.611 -12.788 1.00 0.00 C ATOM 1693 OE1 GLU A 109 10.160 6.314 -11.815 1.00 0.00 O ATOM 1694 OE2 GLU A 109 9.550 5.342 -13.639 1.00 0.00 O ATOM 0 H GLU A 109 13.012 3.109 -11.019 1.00 0.00 H new ATOM 0 HA GLU A 109 14.434 4.889 -12.865 1.00 0.00 H new ATOM 0 HB2 GLU A 109 12.179 5.255 -10.836 1.00 0.00 H new ATOM 0 HB3 GLU A 109 12.799 6.568 -11.817 1.00 0.00 H new ATOM 0 HG2 GLU A 109 12.222 5.357 -13.894 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.742 3.941 -12.979 1.00 0.00 H new ATOM 1701 N GLY A 110 14.963 4.989 -9.628 1.00 0.00 N ATOM 1702 CA GLY A 110 15.872 5.577 -8.606 1.00 0.00 C ATOM 1703 C GLY A 110 15.272 6.883 -8.082 1.00 0.00 C ATOM 1704 O GLY A 110 15.820 7.518 -7.203 1.00 0.00 O ATOM 0 H GLY A 110 14.355 4.243 -9.290 1.00 0.00 H new ATOM 0 HA2 GLY A 110 16.016 4.875 -7.785 1.00 0.00 H new ATOM 0 HA3 GLY A 110 16.854 5.764 -9.041 1.00 0.00 H new ATOM 1708 N ARG A 111 14.140 7.287 -8.605 1.00 0.00 N ATOM 1709 CA ARG A 111 13.499 8.550 -8.123 1.00 0.00 C ATOM 1710 C ARG A 111 12.477 8.202 -7.042 1.00 0.00 C ATOM 1711 O ARG A 111 11.357 7.824 -7.324 1.00 0.00 O ATOM 1712 CB ARG A 111 12.796 9.255 -9.287 1.00 0.00 C ATOM 1713 CG ARG A 111 13.845 9.846 -10.236 1.00 0.00 C ATOM 1714 CD ARG A 111 13.149 10.556 -11.404 1.00 0.00 C ATOM 1715 NE ARG A 111 12.672 9.547 -12.410 1.00 0.00 N ATOM 1716 CZ ARG A 111 13.502 8.760 -13.040 1.00 0.00 C ATOM 1717 NH1 ARG A 111 14.791 8.913 -12.904 1.00 0.00 N ATOM 1718 NH2 ARG A 111 13.040 7.840 -13.842 1.00 0.00 N ATOM 0 H ARG A 111 13.633 6.798 -9.343 1.00 0.00 H new ATOM 0 HA ARG A 111 14.260 9.216 -7.715 1.00 0.00 H new ATOM 0 HB2 ARG A 111 12.161 8.550 -9.823 1.00 0.00 H new ATOM 0 HB3 ARG A 111 12.146 10.044 -8.909 1.00 0.00 H new ATOM 0 HG2 ARG A 111 14.480 10.549 -9.698 1.00 0.00 H new ATOM 0 HG3 ARG A 111 14.493 9.055 -10.614 1.00 0.00 H new ATOM 0 HD2 ARG A 111 12.306 11.140 -11.035 1.00 0.00 H new ATOM 0 HD3 ARG A 111 13.838 11.256 -11.877 1.00 0.00 H new ATOM 0 HE ARG A 111 11.674 9.475 -12.606 1.00 0.00 H new ATOM 0 HH11 ARG A 111 15.156 9.651 -12.302 1.00 0.00 H new ATOM 0 HH12 ARG A 111 15.433 8.294 -13.399 1.00 0.00 H new ATOM 0 HH21 ARG A 111 12.034 7.738 -13.975 1.00 0.00 H new ATOM 0 HH22 ARG A 111 13.685 7.223 -14.336 1.00 0.00 H new ATOM 1732 N PHE A 112 12.868 8.316 -5.803 1.00 0.00 N ATOM 1733 CA PHE A 112 11.945 7.982 -4.682 1.00 0.00 C ATOM 1734 C PHE A 112 11.161 9.227 -4.262 1.00 0.00 C ATOM 1735 O PHE A 112 11.692 10.318 -4.206 1.00 0.00 O ATOM 1736 CB PHE A 112 12.782 7.466 -3.515 1.00 0.00 C ATOM 1737 CG PHE A 112 13.657 6.352 -4.030 1.00 0.00 C ATOM 1738 CD1 PHE A 112 13.140 5.061 -4.146 1.00 0.00 C ATOM 1739 CD2 PHE A 112 14.978 6.616 -4.412 1.00 0.00 C ATOM 1740 CE1 PHE A 112 13.943 4.029 -4.643 1.00 0.00 C ATOM 1741 CE2 PHE A 112 15.782 5.582 -4.908 1.00 0.00 C ATOM 1742 CZ PHE A 112 15.264 4.289 -5.024 1.00 0.00 C ATOM 0 H PHE A 112 13.796 8.629 -5.517 1.00 0.00 H new ATOM 0 HA PHE A 112 11.231 7.220 -4.994 1.00 0.00 H new ATOM 0 HB2 PHE A 112 13.391 8.268 -3.098 1.00 0.00 H new ATOM 0 HB3 PHE A 112 12.138 7.106 -2.713 1.00 0.00 H new ATOM 0 HD1 PHE A 112 12.121 4.859 -3.852 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.377 7.616 -4.324 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.543 3.030 -4.733 1.00 0.00 H new ATOM 0 HE2 PHE A 112 16.802 5.784 -5.201 1.00 0.00 H new ATOM 0 HZ PHE A 112 15.883 3.491 -5.407 1.00 0.00 H new ATOM 1752 N ASN A 113 9.899 9.068 -3.969 1.00 0.00 N ATOM 1753 CA ASN A 113 9.073 10.237 -3.556 1.00 0.00 C ATOM 1754 C ASN A 113 9.238 11.365 -4.578 1.00 0.00 C ATOM 1755 CB ASN A 113 9.527 10.727 -2.179 1.00 0.00 C ATOM 1756 CG ASN A 113 9.353 9.604 -1.155 1.00 0.00 C ATOM 1757 OD1 ASN A 113 8.301 9.002 -1.069 1.00 0.00 O ATOM 1758 ND2 ASN A 113 10.348 9.294 -0.370 1.00 0.00 N ATOM 1759 OXT ASN A 113 9.858 12.360 -4.238 1.00 0.00 O ATOM 0 H ASN A 113 9.404 8.177 -3.998 1.00 0.00 H new ATOM 0 HA ASN A 113 8.026 9.940 -3.507 1.00 0.00 H new ATOM 0 HB2 ASN A 113 10.571 11.039 -2.218 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.944 11.599 -1.881 1.00 0.00 H new ATOM 0 HD21 ASN A 113 10.243 8.546 0.316 1.00 0.00 H new ATOM 0 HD22 ASN A 113 11.231 9.799 -0.442 1.00 0.00 H new TER 1766 ASN A 113