USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 735 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 Single : A 1 ARG N :NH3+ -154:sc= 0.0198 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 180:sc=0.000736 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.716 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -107:sc= -5.22! (180deg=-10.7!) USER MOD Single : A 25 GLN : amide:sc= -0.282 X(o=-0.28,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -151:sc= 0.643 (180deg=-0.421) USER MOD Single : A 36 SER OG : rot 180:sc= -0.702 USER MOD Single : A 39 SER OG : rot -175:sc= -0.752 USER MOD Single : A 41 ASN : amide:sc= -0.171 X(o=-0.17,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -169:sc=-0.00884 (180deg=-0.127) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.21 X(o=-1.2,f=-0.92) USER MOD Single : A 49 GLN : amide:sc= -0.341 X(o=-0.34,f=-0.24) USER MOD Single : A 50 GLN : amide:sc= -0.678 K(o=-0.68,f=-2) USER MOD Single : A 53 SER OG : rot 7:sc= 0.0528 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.553 USER MOD Single : A 62 SER OG : rot -149:sc= -1.55! USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.396 USER MOD Single : A 65 THR OG1 : rot 90:sc= 1.24 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.0058) USER MOD Single : A 70 ASN : amide:sc= -1.22 K(o=-1.2,f=-3!) USER MOD Single : A 77 TYR OH : rot 180:sc= -1.36 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 88:sc= 1.26 USER MOD Single : A 88 GLN : amide:sc=-0.00165 X(o=-0.0016,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.204 X(o=-0.2,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -20.597 7.798 4.214 1.00 0.00 N ATOM 2 CA ARG A 1 -20.772 6.409 3.718 1.00 0.00 C ATOM 3 C ARG A 1 -19.948 5.426 4.569 1.00 0.00 C ATOM 4 O ARG A 1 -19.557 5.754 5.691 1.00 0.00 O ATOM 5 CB ARG A 1 -20.368 6.374 2.223 1.00 0.00 C ATOM 6 CG ARG A 1 -21.497 5.939 1.292 1.00 0.00 C ATOM 7 CD ARG A 1 -21.912 4.497 1.549 1.00 0.00 C ATOM 8 NE ARG A 1 -23.226 4.185 0.981 1.00 0.00 N ATOM 9 CZ ARG A 1 -23.653 2.955 0.661 1.00 0.00 C ATOM 10 NH1 ARG A 1 -22.890 1.879 0.857 1.00 0.00 N ATOM 11 NH2 ARG A 1 -24.865 2.802 0.146 1.00 0.00 N ATOM 0 H1 ARG A 1 -21.433 8.364 3.964 1.00 0.00 H new ATOM 0 H2 ARG A 1 -20.483 7.786 5.248 1.00 0.00 H new ATOM 0 H3 ARG A 1 -19.752 8.219 3.778 1.00 0.00 H new ATOM 0 HA ARG A 1 -21.813 6.097 3.807 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -20.025 7.365 1.925 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -19.525 5.694 2.099 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -22.356 6.595 1.430 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -21.177 6.047 0.256 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -21.166 3.826 1.123 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -21.930 4.313 2.623 1.00 0.00 H new ATOM 0 HE ARG A 1 -23.865 4.963 0.816 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -21.958 1.981 1.259 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -23.238 0.954 0.605 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -25.462 3.615 -0.003 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -25.200 1.871 -0.101 1.00 0.00 H new ATOM 27 N VAL A 2 -19.692 4.224 4.035 1.00 0.00 N ATOM 28 CA VAL A 2 -18.924 3.191 4.737 1.00 0.00 C ATOM 29 C VAL A 2 -17.640 2.873 3.959 1.00 0.00 C ATOM 30 O VAL A 2 -17.521 1.816 3.329 1.00 0.00 O ATOM 31 CB VAL A 2 -19.753 1.869 4.976 1.00 0.00 C ATOM 32 CG1 VAL A 2 -20.250 1.797 6.415 1.00 0.00 C ATOM 33 CG2 VAL A 2 -20.940 1.727 4.013 1.00 0.00 C ATOM 0 H VAL A 2 -20.011 3.943 3.108 1.00 0.00 H new ATOM 0 HA VAL A 2 -18.674 3.591 5.719 1.00 0.00 H new ATOM 0 HB VAL A 2 -19.072 1.041 4.780 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -20.819 0.878 6.558 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -19.398 1.806 7.095 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -20.889 2.655 6.623 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -21.472 0.800 4.225 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -21.617 2.571 4.143 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -20.575 1.709 2.986 1.00 0.00 H new ATOM 43 N LEU A 3 -16.681 3.803 4.004 1.00 0.00 N ATOM 44 CA LEU A 3 -15.410 3.628 3.302 1.00 0.00 C ATOM 45 C LEU A 3 -14.267 4.325 4.043 1.00 0.00 C ATOM 46 O LEU A 3 -14.154 5.553 4.014 1.00 0.00 O ATOM 47 CB LEU A 3 -15.528 4.146 1.856 1.00 0.00 C ATOM 48 CG LEU A 3 -15.204 3.104 0.776 1.00 0.00 C ATOM 49 CD1 LEU A 3 -16.443 2.290 0.423 1.00 0.00 C ATOM 50 CD2 LEU A 3 -14.631 3.770 -0.467 1.00 0.00 C ATOM 0 H LEU A 3 -16.762 4.681 4.518 1.00 0.00 H new ATOM 0 HA LEU A 3 -15.178 2.563 3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -16.542 4.512 1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.859 4.998 1.733 1.00 0.00 H new ATOM 0 HG LEU A 3 -14.450 2.427 1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -16.191 1.558 -0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -16.805 1.774 1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -17.221 2.955 0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -14.410 3.011 -1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -15.357 4.476 -0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -13.715 4.300 -0.206 1.00 0.00 H new ATOM 62 N GLN A 4 -13.419 3.527 4.699 1.00 0.00 N ATOM 63 CA GLN A 4 -12.274 4.043 5.446 1.00 0.00 C ATOM 64 C GLN A 4 -11.030 3.209 5.134 1.00 0.00 C ATOM 65 O GLN A 4 -11.118 1.989 4.982 1.00 0.00 O ATOM 66 CB GLN A 4 -12.576 4.022 6.949 1.00 0.00 C ATOM 67 CG GLN A 4 -11.456 4.571 7.822 1.00 0.00 C ATOM 68 CD GLN A 4 -11.955 5.048 9.173 1.00 0.00 C ATOM 69 OE1 GLN A 4 -11.771 4.373 10.186 1.00 0.00 O ATOM 70 NE2 GLN A 4 -12.591 6.214 9.196 1.00 0.00 N ATOM 0 H GLN A 4 -13.508 2.511 4.726 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.085 5.074 5.146 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -13.481 4.600 7.134 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -12.786 2.996 7.251 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -10.702 3.798 7.969 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.969 5.398 7.305 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -12.722 6.741 8.332 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -12.949 6.582 10.077 1.00 0.00 H new ATOM 79 N VAL A 5 -9.875 3.877 5.039 1.00 0.00 N ATOM 80 CA VAL A 5 -8.612 3.190 4.739 1.00 0.00 C ATOM 81 C VAL A 5 -7.431 3.915 5.388 1.00 0.00 C ATOM 82 O VAL A 5 -7.392 5.148 5.408 1.00 0.00 O ATOM 83 CB VAL A 5 -8.332 3.047 3.203 1.00 0.00 C ATOM 84 CG1 VAL A 5 -7.607 1.742 2.921 1.00 0.00 C ATOM 85 CG2 VAL A 5 -9.601 3.117 2.353 1.00 0.00 C ATOM 0 H VAL A 5 -9.788 4.885 5.164 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.719 2.187 5.153 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.708 3.895 2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.418 1.654 1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.659 1.729 3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.223 0.905 3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.340 3.012 1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.277 2.312 2.641 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.092 4.077 2.511 1.00 0.00 H new ATOM 95 N ASP A 6 -6.467 3.143 5.906 1.00 0.00 N ATOM 96 CA ASP A 6 -5.281 3.712 6.546 1.00 0.00 C ATOM 97 C ASP A 6 -4.113 2.728 6.488 1.00 0.00 C ATOM 98 O ASP A 6 -4.280 1.546 6.798 1.00 0.00 O ATOM 99 CB ASP A 6 -5.585 4.075 8.001 1.00 0.00 C ATOM 100 CG ASP A 6 -6.600 5.195 8.119 1.00 0.00 C ATOM 101 OD1 ASP A 6 -6.321 6.304 7.615 1.00 0.00 O ATOM 102 OD2 ASP A 6 -7.675 4.963 8.712 1.00 0.00 O ATOM 0 H ASP A 6 -6.488 2.123 5.893 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.002 4.617 6.005 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.959 3.193 8.522 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.662 4.371 8.499 1.00 0.00 H new ATOM 107 N ILE A 7 -2.935 3.220 6.083 1.00 0.00 N ATOM 108 CA ILE A 7 -1.740 2.377 5.975 1.00 0.00 C ATOM 109 C ILE A 7 -0.924 2.408 7.271 1.00 0.00 C ATOM 110 O ILE A 7 -0.648 3.483 7.808 1.00 0.00 O ATOM 111 CB ILE A 7 -0.824 2.802 4.795 1.00 0.00 C ATOM 112 CG1 ILE A 7 -1.642 3.065 3.519 1.00 0.00 C ATOM 113 CG2 ILE A 7 0.227 1.727 4.535 1.00 0.00 C ATOM 114 CD1 ILE A 7 -0.813 3.581 2.358 1.00 0.00 C ATOM 0 H ILE A 7 -2.785 4.196 5.826 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.098 1.365 5.789 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.326 3.731 5.071 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.137 2.141 3.218 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.426 3.788 3.743 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.864 2.034 3.706 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.836 1.589 5.429 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.267 0.788 4.284 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.458 3.743 1.494 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.339 4.522 2.639 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.045 2.850 2.106 1.00 0.00 H new ATOM 126 N VAL A 8 -0.533 1.222 7.762 1.00 0.00 N ATOM 127 CA VAL A 8 0.261 1.105 8.987 1.00 0.00 C ATOM 128 C VAL A 8 1.661 0.545 8.650 1.00 0.00 C ATOM 129 O VAL A 8 1.752 -0.510 8.024 1.00 0.00 O ATOM 130 CB VAL A 8 -0.435 0.169 10.013 1.00 0.00 C ATOM 131 CG1 VAL A 8 0.327 0.130 11.336 1.00 0.00 C ATOM 132 CG2 VAL A 8 -1.878 0.599 10.250 1.00 0.00 C ATOM 0 H VAL A 8 -0.757 0.328 7.324 1.00 0.00 H new ATOM 0 HA VAL A 8 0.355 2.097 9.429 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.435 -0.836 9.590 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.186 -0.534 12.032 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.338 -0.238 11.163 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.373 1.134 11.759 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.344 -0.072 10.972 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.895 1.618 10.638 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.429 0.559 9.310 1.00 0.00 H new ATOM 142 N PRO A 9 2.780 1.218 9.044 1.00 0.00 N ATOM 143 CA PRO A 9 2.785 2.485 9.795 1.00 0.00 C ATOM 144 C PRO A 9 2.599 3.700 8.887 1.00 0.00 C ATOM 145 O PRO A 9 2.607 3.571 7.662 1.00 0.00 O ATOM 146 CB PRO A 9 4.176 2.494 10.423 1.00 0.00 C ATOM 147 CG PRO A 9 5.033 1.794 9.427 1.00 0.00 C ATOM 148 CD PRO A 9 4.159 0.758 8.767 1.00 0.00 C ATOM 0 HA PRO A 9 1.968 2.547 10.514 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.525 3.511 10.603 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.182 1.980 11.384 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.426 2.496 8.692 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.890 1.327 9.912 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.351 0.698 7.696 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.338 -0.235 9.179 1.00 0.00 H new ATOM 156 N SER A 10 2.440 4.877 9.501 1.00 0.00 N ATOM 157 CA SER A 10 2.264 6.121 8.749 1.00 0.00 C ATOM 158 C SER A 10 3.565 6.510 8.048 1.00 0.00 C ATOM 159 O SER A 10 3.553 6.966 6.903 1.00 0.00 O ATOM 160 CB SER A 10 1.815 7.252 9.679 1.00 0.00 C ATOM 161 OG SER A 10 2.669 7.357 10.804 1.00 0.00 O ATOM 0 H SER A 10 2.430 4.993 10.514 1.00 0.00 H new ATOM 0 HA SER A 10 1.493 5.958 7.996 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.810 8.195 9.133 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.793 7.070 10.010 1.00 0.00 H new ATOM 0 HG SER A 10 2.362 8.087 11.381 1.00 0.00 H new ATOM 167 N GLN A 11 4.688 6.314 8.746 1.00 0.00 N ATOM 168 CA GLN A 11 6.014 6.629 8.210 1.00 0.00 C ATOM 169 C GLN A 11 6.975 5.479 8.496 1.00 0.00 C ATOM 170 O GLN A 11 7.288 5.205 9.658 1.00 0.00 O ATOM 171 CB GLN A 11 6.543 7.924 8.832 1.00 0.00 C ATOM 172 CG GLN A 11 6.522 7.923 10.353 1.00 0.00 C ATOM 173 CD GLN A 11 6.595 9.323 10.936 1.00 0.00 C ATOM 174 OE1 GLN A 11 7.595 10.021 10.771 1.00 0.00 O ATOM 175 NE2 GLN A 11 5.535 9.743 11.626 1.00 0.00 N ATOM 0 H GLN A 11 4.703 5.935 9.693 1.00 0.00 H new ATOM 0 HA GLN A 11 5.935 6.767 7.132 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.565 8.090 8.491 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.947 8.761 8.469 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.611 7.435 10.700 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.361 7.334 10.724 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.726 9.133 11.739 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.533 10.675 12.041 1.00 0.00 H new ATOM 184 N GLY A 12 7.423 4.794 7.433 1.00 0.00 N ATOM 185 CA GLY A 12 8.327 3.659 7.590 1.00 0.00 C ATOM 186 C GLY A 12 9.746 3.935 7.119 1.00 0.00 C ATOM 187 O GLY A 12 10.038 3.823 5.926 1.00 0.00 O ATOM 0 H GLY A 12 7.174 5.008 6.467 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.353 3.370 8.641 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.929 2.810 7.035 1.00 0.00 H new ATOM 191 N GLU A 13 10.632 4.269 8.063 1.00 0.00 N ATOM 192 CA GLU A 13 12.035 4.529 7.751 1.00 0.00 C ATOM 193 C GLU A 13 12.808 3.212 7.757 1.00 0.00 C ATOM 194 O GLU A 13 12.766 2.474 8.745 1.00 0.00 O ATOM 195 CB GLU A 13 12.634 5.502 8.768 1.00 0.00 C ATOM 196 CG GLU A 13 12.282 6.956 8.500 1.00 0.00 C ATOM 197 CD GLU A 13 12.214 7.788 9.767 1.00 0.00 C ATOM 198 OE1 GLU A 13 11.455 7.410 10.684 1.00 0.00 O ATOM 199 OE2 GLU A 13 12.921 8.814 9.842 1.00 0.00 O ATOM 0 H GLU A 13 10.398 4.365 9.051 1.00 0.00 H new ATOM 0 HA GLU A 13 12.105 4.982 6.762 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.287 5.231 9.765 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.719 5.393 8.767 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.024 7.387 7.828 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.321 7.004 7.987 1.00 0.00 H new ATOM 206 N ILE A 14 13.486 2.902 6.646 1.00 0.00 N ATOM 207 CA ILE A 14 14.236 1.647 6.521 1.00 0.00 C ATOM 208 C ILE A 14 15.562 1.877 5.775 1.00 0.00 C ATOM 209 O ILE A 14 15.750 2.910 5.139 1.00 0.00 O ATOM 210 CB ILE A 14 13.330 0.578 5.809 1.00 0.00 C ATOM 211 CG1 ILE A 14 12.214 0.124 6.771 1.00 0.00 C ATOM 212 CG2 ILE A 14 14.102 -0.644 5.284 1.00 0.00 C ATOM 213 CD1 ILE A 14 10.953 0.965 6.697 1.00 0.00 C ATOM 0 H ILE A 14 13.531 3.502 5.822 1.00 0.00 H new ATOM 0 HA ILE A 14 14.498 1.270 7.510 1.00 0.00 H new ATOM 0 HB ILE A 14 12.907 1.066 4.931 1.00 0.00 H new ATOM 0 HG12 ILE A 14 11.960 -0.913 6.552 1.00 0.00 H new ATOM 0 HG13 ILE A 14 12.596 0.150 7.792 1.00 0.00 H new ATOM 0 HG21 ILE A 14 13.408 -1.335 4.806 1.00 0.00 H new ATOM 0 HG22 ILE A 14 14.848 -0.319 4.558 1.00 0.00 H new ATOM 0 HG23 ILE A 14 14.599 -1.145 6.115 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.217 0.581 7.404 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.190 1.999 6.946 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.544 0.920 5.688 1.00 0.00 H new ATOM 225 N SER A 15 16.479 0.907 5.870 1.00 0.00 N ATOM 226 CA SER A 15 17.780 0.995 5.204 1.00 0.00 C ATOM 227 C SER A 15 17.788 0.143 3.931 1.00 0.00 C ATOM 228 O SER A 15 17.014 -0.816 3.805 1.00 0.00 O ATOM 229 CB SER A 15 18.907 0.546 6.151 1.00 0.00 C ATOM 230 OG SER A 15 18.421 -0.300 7.180 1.00 0.00 O ATOM 0 H SER A 15 16.341 0.049 6.405 1.00 0.00 H new ATOM 0 HA SER A 15 17.953 2.036 4.930 1.00 0.00 H new ATOM 0 HB2 SER A 15 19.674 0.022 5.581 1.00 0.00 H new ATOM 0 HB3 SER A 15 19.381 1.422 6.594 1.00 0.00 H new ATOM 0 HG SER A 15 19.163 -0.567 7.761 1.00 0.00 H new ATOM 236 N VAL A 16 18.687 0.484 2.996 1.00 0.00 N ATOM 237 CA VAL A 16 18.812 -0.255 1.735 1.00 0.00 C ATOM 238 C VAL A 16 19.248 -1.693 2.021 1.00 0.00 C ATOM 239 O VAL A 16 20.054 -1.933 2.924 1.00 0.00 O ATOM 240 CB VAL A 16 19.810 0.426 0.754 1.00 0.00 C ATOM 241 CG1 VAL A 16 19.842 -0.283 -0.602 1.00 0.00 C ATOM 242 CG2 VAL A 16 19.461 1.899 0.557 1.00 0.00 C ATOM 0 H VAL A 16 19.336 1.265 3.091 1.00 0.00 H new ATOM 0 HA VAL A 16 17.835 -0.256 1.252 1.00 0.00 H new ATOM 0 HB VAL A 16 20.800 0.351 1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.550 0.221 -1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 16 20.150 -1.319 -0.464 1.00 0.00 H new ATOM 0 HG13 VAL A 16 18.849 -0.257 -1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.173 2.353 -0.133 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.455 1.983 0.147 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.506 2.415 1.516 1.00 0.00 H new ATOM 252 N GLY A 17 18.677 -2.637 1.271 1.00 0.00 N ATOM 253 CA GLY A 17 18.976 -4.044 1.481 1.00 0.00 C ATOM 254 C GLY A 17 18.024 -4.701 2.482 1.00 0.00 C ATOM 255 O GLY A 17 18.007 -5.929 2.596 1.00 0.00 O ATOM 0 H GLY A 17 18.012 -2.450 0.521 1.00 0.00 H new ATOM 0 HA2 GLY A 17 18.917 -4.571 0.529 1.00 0.00 H new ATOM 0 HA3 GLY A 17 20.001 -4.145 1.839 1.00 0.00 H new ATOM 259 N GLU A 18 17.221 -3.889 3.204 1.00 0.00 N ATOM 260 CA GLU A 18 16.266 -4.406 4.178 1.00 0.00 C ATOM 261 C GLU A 18 14.880 -4.455 3.552 1.00 0.00 C ATOM 262 O GLU A 18 14.624 -3.766 2.562 1.00 0.00 O ATOM 263 CB GLU A 18 16.236 -3.515 5.427 1.00 0.00 C ATOM 264 CG GLU A 18 17.607 -3.154 5.976 1.00 0.00 C ATOM 265 CD GLU A 18 18.292 -4.320 6.661 1.00 0.00 C ATOM 266 OE1 GLU A 18 18.880 -5.163 5.951 1.00 0.00 O ATOM 267 OE2 GLU A 18 18.242 -4.390 7.907 1.00 0.00 O ATOM 0 H GLU A 18 17.224 -2.872 3.122 1.00 0.00 H new ATOM 0 HA GLU A 18 16.573 -5.410 4.473 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.700 -2.596 5.190 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.668 -4.023 6.207 1.00 0.00 H new ATOM 0 HG2 GLU A 18 18.237 -2.796 5.161 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.505 -2.332 6.684 1.00 0.00 H new ATOM 274 N SER A 19 13.985 -5.269 4.122 1.00 0.00 N ATOM 275 CA SER A 19 12.624 -5.399 3.600 1.00 0.00 C ATOM 276 C SER A 19 11.631 -4.594 4.438 1.00 0.00 C ATOM 277 O SER A 19 11.835 -4.399 5.638 1.00 0.00 O ATOM 278 CB SER A 19 12.218 -6.871 3.531 1.00 0.00 C ATOM 279 OG SER A 19 12.318 -7.497 4.797 1.00 0.00 O ATOM 0 H SER A 19 14.179 -5.845 4.941 1.00 0.00 H new ATOM 0 HA SER A 19 12.607 -4.991 2.590 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.194 -6.950 3.165 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.854 -7.392 2.815 1.00 0.00 H new ATOM 0 HG SER A 19 12.050 -8.436 4.719 1.00 0.00 H new ATOM 285 N LYS A 20 10.568 -4.103 3.785 1.00 0.00 N ATOM 286 CA LYS A 20 9.549 -3.283 4.458 1.00 0.00 C ATOM 287 C LYS A 20 8.168 -3.487 3.841 1.00 0.00 C ATOM 288 O LYS A 20 7.982 -3.283 2.641 1.00 0.00 O ATOM 289 CB LYS A 20 9.916 -1.784 4.395 1.00 0.00 C ATOM 290 CG LYS A 20 10.603 -1.352 3.094 1.00 0.00 C ATOM 291 CD LYS A 20 9.968 -0.106 2.474 1.00 0.00 C ATOM 292 CE LYS A 20 10.985 0.772 1.754 1.00 0.00 C ATOM 293 NZ LYS A 20 10.456 1.333 0.468 1.00 0.00 N ATOM 0 H LYS A 20 10.391 -4.259 2.793 1.00 0.00 H new ATOM 0 HA LYS A 20 9.520 -3.605 5.499 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.008 -1.195 4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.572 -1.548 5.233 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.657 -1.157 3.292 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.560 -2.171 2.376 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.193 -0.409 1.771 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.480 0.476 3.256 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.280 1.592 2.409 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.883 0.189 1.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.905 0.846 -0.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.426 1.193 0.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.669 2.350 0.419 1.00 0.00 H new ATOM 307 N PHE A 21 7.194 -3.860 4.678 1.00 0.00 N ATOM 308 CA PHE A 21 5.813 -4.067 4.225 1.00 0.00 C ATOM 309 C PHE A 21 4.872 -3.041 4.854 1.00 0.00 C ATOM 310 O PHE A 21 5.105 -2.590 5.978 1.00 0.00 O ATOM 311 CB PHE A 21 5.340 -5.486 4.544 1.00 0.00 C ATOM 312 CG PHE A 21 5.412 -5.843 5.996 1.00 0.00 C ATOM 313 CD1 PHE A 21 4.423 -5.429 6.871 1.00 0.00 C ATOM 314 CD2 PHE A 21 6.469 -6.590 6.483 1.00 0.00 C ATOM 315 CE1 PHE A 21 4.485 -5.754 8.209 1.00 0.00 C ATOM 316 CE2 PHE A 21 6.540 -6.919 7.824 1.00 0.00 C ATOM 317 CZ PHE A 21 5.545 -6.501 8.687 1.00 0.00 C ATOM 0 H PHE A 21 7.336 -4.025 5.674 1.00 0.00 H new ATOM 0 HA PHE A 21 5.795 -3.933 3.143 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.311 -5.599 4.204 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.943 -6.195 3.976 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.593 -4.845 6.501 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.246 -6.919 5.809 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.707 -5.426 8.882 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.370 -7.501 8.196 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.596 -6.758 9.735 1.00 0.00 H new ATOM 327 N PHE A 22 3.814 -2.663 4.120 1.00 0.00 N ATOM 328 CA PHE A 22 2.840 -1.668 4.617 1.00 0.00 C ATOM 329 C PHE A 22 1.398 -2.183 4.533 1.00 0.00 C ATOM 330 O PHE A 22 0.910 -2.532 3.466 1.00 0.00 O ATOM 331 CB PHE A 22 3.013 -0.361 3.858 1.00 0.00 C ATOM 332 CG PHE A 22 4.383 0.210 4.049 1.00 0.00 C ATOM 333 CD1 PHE A 22 4.651 1.065 5.105 1.00 0.00 C ATOM 334 CD2 PHE A 22 5.408 -0.137 3.193 1.00 0.00 C ATOM 335 CE1 PHE A 22 5.923 1.565 5.302 1.00 0.00 C ATOM 336 CE2 PHE A 22 6.679 0.362 3.380 1.00 0.00 C ATOM 337 CZ PHE A 22 6.940 1.212 4.437 1.00 0.00 C ATOM 0 H PHE A 22 3.609 -3.025 3.189 1.00 0.00 H new ATOM 0 HA PHE A 22 3.039 -1.490 5.674 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.833 -0.530 2.796 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.268 0.359 4.197 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.857 1.344 5.782 1.00 0.00 H new ATOM 0 HD2 PHE A 22 5.212 -0.806 2.368 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.122 2.230 6.130 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.472 0.088 2.699 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.937 1.600 4.587 1.00 0.00 H new ATOM 347 N LEU A 23 0.743 -2.257 5.695 1.00 0.00 N ATOM 348 CA LEU A 23 -0.626 -2.786 5.812 1.00 0.00 C ATOM 349 C LEU A 23 -1.730 -1.808 5.374 1.00 0.00 C ATOM 350 O LEU A 23 -2.040 -0.864 6.092 1.00 0.00 O ATOM 351 CB LEU A 23 -0.872 -3.186 7.281 1.00 0.00 C ATOM 352 CG LEU A 23 -1.609 -4.506 7.524 1.00 0.00 C ATOM 353 CD1 LEU A 23 -2.888 -4.628 6.691 1.00 0.00 C ATOM 354 CD2 LEU A 23 -0.675 -5.687 7.284 1.00 0.00 C ATOM 0 H LEU A 23 1.143 -1.953 6.583 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.687 -3.636 5.132 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.093 -3.238 7.785 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.439 -2.388 7.760 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.923 -4.515 8.568 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.370 -5.582 6.902 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.567 -3.814 6.945 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.639 -4.574 5.631 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.213 -6.618 7.461 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.317 -5.664 6.255 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.174 -5.624 7.965 1.00 0.00 H new ATOM 366 N CYS A 24 -2.374 -2.098 4.238 1.00 0.00 N ATOM 367 CA CYS A 24 -3.498 -1.286 3.760 1.00 0.00 C ATOM 368 C CYS A 24 -4.774 -1.778 4.450 1.00 0.00 C ATOM 369 O CYS A 24 -5.440 -2.697 3.958 1.00 0.00 O ATOM 370 CB CYS A 24 -3.625 -1.368 2.224 1.00 0.00 C ATOM 371 SG CYS A 24 -5.088 -0.547 1.489 1.00 0.00 S ATOM 0 H CYS A 24 -2.137 -2.886 3.635 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.330 -0.238 4.007 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.729 -0.932 1.782 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.642 -2.419 1.937 1.00 0.00 H new ATOM 376 N GLN A 25 -5.088 -1.175 5.604 1.00 0.00 N ATOM 377 CA GLN A 25 -6.261 -1.556 6.383 1.00 0.00 C ATOM 378 C GLN A 25 -7.518 -0.866 5.857 1.00 0.00 C ATOM 379 O GLN A 25 -7.449 0.236 5.306 1.00 0.00 O ATOM 380 CB GLN A 25 -6.042 -1.228 7.870 1.00 0.00 C ATOM 381 CG GLN A 25 -5.596 -2.425 8.696 1.00 0.00 C ATOM 382 CD GLN A 25 -4.763 -2.028 9.902 1.00 0.00 C ATOM 383 OE1 GLN A 25 -5.167 -1.174 10.690 1.00 0.00 O ATOM 384 NE2 GLN A 25 -3.593 -2.645 10.055 1.00 0.00 N ATOM 0 H GLN A 25 -4.540 -0.419 6.015 1.00 0.00 H new ATOM 0 HA GLN A 25 -6.404 -2.632 6.281 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.294 -0.440 7.954 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.969 -0.834 8.287 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.474 -2.977 9.032 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.017 -3.100 8.066 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.295 -3.348 9.379 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.995 -2.415 10.849 1.00 0.00 H new ATOM 393 N VAL A 26 -8.664 -1.531 6.034 1.00 0.00 N ATOM 394 CA VAL A 26 -9.950 -1.008 5.581 1.00 0.00 C ATOM 395 C VAL A 26 -10.941 -0.886 6.742 1.00 0.00 C ATOM 396 O VAL A 26 -10.686 -1.387 7.839 1.00 0.00 O ATOM 397 CB VAL A 26 -10.554 -1.922 4.489 1.00 0.00 C ATOM 398 CG1 VAL A 26 -9.679 -1.898 3.243 1.00 0.00 C ATOM 399 CG2 VAL A 26 -10.736 -3.359 5.002 1.00 0.00 C ATOM 0 H VAL A 26 -8.723 -2.440 6.492 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.771 -0.016 5.167 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.541 -1.539 4.231 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.113 -2.545 2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.617 -0.879 2.862 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.679 -2.253 3.493 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.162 -3.976 4.211 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.769 -3.765 5.298 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.406 -3.356 5.861 1.00 0.00 H new ATOM 409 N ALA A 27 -12.074 -0.227 6.483 1.00 0.00 N ATOM 410 CA ALA A 27 -13.119 -0.045 7.493 1.00 0.00 C ATOM 411 C ALA A 27 -14.397 0.514 6.859 1.00 0.00 C ATOM 412 O ALA A 27 -14.471 1.702 6.540 1.00 0.00 O ATOM 413 CB ALA A 27 -12.622 0.861 8.622 1.00 0.00 C ATOM 0 H ALA A 27 -12.291 0.191 5.578 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.358 -1.019 7.921 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.411 0.985 9.363 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.749 0.409 9.094 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.351 1.835 8.214 1.00 0.00 H new ATOM 419 N GLY A 28 -15.396 -0.357 6.676 1.00 0.00 N ATOM 420 CA GLY A 28 -16.654 0.062 6.077 1.00 0.00 C ATOM 421 C GLY A 28 -17.400 -1.090 5.423 1.00 0.00 C ATOM 422 O GLY A 28 -16.801 -1.886 4.697 1.00 0.00 O ATOM 0 H GLY A 28 -15.353 -1.343 6.933 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -17.286 0.511 6.843 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.459 0.834 5.332 1.00 0.00 H new ATOM 426 N ASP A 29 -18.711 -1.179 5.683 1.00 0.00 N ATOM 427 CA ASP A 29 -19.548 -2.242 5.120 1.00 0.00 C ATOM 428 C ASP A 29 -20.253 -1.765 3.839 1.00 0.00 C ATOM 429 O ASP A 29 -21.473 -1.900 3.692 1.00 0.00 O ATOM 430 CB ASP A 29 -20.569 -2.705 6.168 1.00 0.00 C ATOM 431 CG ASP A 29 -19.990 -3.727 7.128 1.00 0.00 C ATOM 432 OD1 ASP A 29 -19.648 -4.840 6.676 1.00 0.00 O ATOM 433 OD2 ASP A 29 -19.880 -3.414 8.333 1.00 0.00 O ATOM 0 H ASP A 29 -19.214 -0.524 6.282 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.913 -3.086 4.851 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -20.924 -1.842 6.731 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -21.434 -3.134 5.663 1.00 0.00 H new ATOM 438 N ALA A 30 -19.470 -1.204 2.908 1.00 0.00 N ATOM 439 CA ALA A 30 -20.008 -0.707 1.641 1.00 0.00 C ATOM 440 C ALA A 30 -20.031 -1.809 0.574 1.00 0.00 C ATOM 441 O ALA A 30 -19.169 -1.852 -0.306 1.00 0.00 O ATOM 442 CB ALA A 30 -19.202 0.497 1.163 1.00 0.00 C ATOM 0 H ALA A 30 -18.462 -1.084 3.011 1.00 0.00 H new ATOM 0 HA ALA A 30 -21.038 -0.393 1.808 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -19.612 0.858 0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -19.256 1.290 1.909 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -18.162 0.204 1.019 1.00 0.00 H new ATOM 448 N LYS A 31 -21.037 -2.702 0.669 1.00 0.00 N ATOM 449 CA LYS A 31 -21.233 -3.834 -0.267 1.00 0.00 C ATOM 450 C LYS A 31 -19.919 -4.538 -0.668 1.00 0.00 C ATOM 451 O LYS A 31 -19.516 -5.508 -0.022 1.00 0.00 O ATOM 452 CB LYS A 31 -22.068 -3.419 -1.508 1.00 0.00 C ATOM 453 CG LYS A 31 -21.877 -1.979 -1.986 1.00 0.00 C ATOM 454 CD LYS A 31 -22.760 -1.008 -1.212 1.00 0.00 C ATOM 455 CE LYS A 31 -24.177 -0.959 -1.770 1.00 0.00 C ATOM 456 NZ LYS A 31 -24.339 0.118 -2.785 1.00 0.00 N ATOM 0 H LYS A 31 -21.744 -2.660 1.403 1.00 0.00 H new ATOM 0 HA LYS A 31 -21.808 -4.577 0.285 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -21.821 -4.091 -2.330 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -23.123 -3.569 -1.280 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -20.832 -1.692 -1.870 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -22.109 -1.914 -3.049 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -22.793 -1.304 -0.164 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -22.321 -0.011 -1.248 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -24.423 -1.921 -2.220 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -24.882 -0.798 -0.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -25.317 0.117 -3.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -24.129 1.039 -2.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -23.684 -0.049 -3.576 1.00 0.00 H new ATOM 470 N ASP A 32 -19.261 -4.050 -1.723 1.00 0.00 N ATOM 471 CA ASP A 32 -18.001 -4.628 -2.200 1.00 0.00 C ATOM 472 C ASP A 32 -16.926 -3.552 -2.359 1.00 0.00 C ATOM 473 O ASP A 32 -17.199 -2.457 -2.856 1.00 0.00 O ATOM 474 CB ASP A 32 -18.215 -5.347 -3.532 1.00 0.00 C ATOM 475 CG ASP A 32 -19.124 -6.554 -3.398 1.00 0.00 C ATOM 476 OD1 ASP A 32 -18.694 -7.558 -2.793 1.00 0.00 O ATOM 477 OD2 ASP A 32 -20.267 -6.495 -3.899 1.00 0.00 O ATOM 0 H ASP A 32 -19.583 -3.250 -2.267 1.00 0.00 H new ATOM 0 HA ASP A 32 -17.661 -5.347 -1.455 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -18.644 -4.651 -4.253 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -17.251 -5.664 -3.930 1.00 0.00 H new ATOM 482 N LYS A 33 -15.701 -3.875 -1.928 1.00 0.00 N ATOM 483 CA LYS A 33 -14.567 -2.952 -2.007 1.00 0.00 C ATOM 484 C LYS A 33 -13.369 -3.624 -2.693 1.00 0.00 C ATOM 485 O LYS A 33 -13.165 -4.831 -2.555 1.00 0.00 O ATOM 486 CB LYS A 33 -14.209 -2.470 -0.597 1.00 0.00 C ATOM 487 CG LYS A 33 -15.347 -1.691 0.067 1.00 0.00 C ATOM 488 CD LYS A 33 -15.480 -1.981 1.560 1.00 0.00 C ATOM 489 CE LYS A 33 -14.240 -1.560 2.338 1.00 0.00 C ATOM 490 NZ LYS A 33 -14.124 -2.258 3.657 1.00 0.00 N ATOM 0 H LYS A 33 -15.470 -4.780 -1.517 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.842 -2.088 -2.612 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -13.953 -3.330 0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -13.322 -1.838 -0.648 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -15.180 -0.623 -0.076 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -16.286 -1.937 -0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -16.350 -1.457 1.955 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -15.656 -3.047 1.708 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.352 -1.769 1.741 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -14.267 -0.483 2.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.617 -1.648 4.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -15.074 -2.464 4.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.600 -3.148 3.534 1.00 0.00 H new ATOM 504 N ASP A 34 -12.598 -2.835 -3.456 1.00 0.00 N ATOM 505 CA ASP A 34 -11.436 -3.346 -4.201 1.00 0.00 C ATOM 506 C ASP A 34 -10.158 -2.586 -3.843 1.00 0.00 C ATOM 507 O ASP A 34 -10.047 -1.399 -4.140 1.00 0.00 O ATOM 508 CB ASP A 34 -11.699 -3.207 -5.701 1.00 0.00 C ATOM 509 CG ASP A 34 -10.701 -3.980 -6.543 1.00 0.00 C ATOM 510 OD1 ASP A 34 -10.877 -5.207 -6.697 1.00 0.00 O ATOM 511 OD2 ASP A 34 -9.742 -3.357 -7.046 1.00 0.00 O ATOM 0 H ASP A 34 -12.759 -1.835 -3.574 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.295 -4.393 -3.932 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.706 -3.559 -5.924 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.662 -2.153 -5.976 1.00 0.00 H new ATOM 516 N ILE A 35 -9.196 -3.280 -3.218 1.00 0.00 N ATOM 517 CA ILE A 35 -7.920 -2.668 -2.819 1.00 0.00 C ATOM 518 C ILE A 35 -6.971 -2.479 -4.017 1.00 0.00 C ATOM 519 O ILE A 35 -7.059 -3.194 -5.017 1.00 0.00 O ATOM 520 CB ILE A 35 -7.198 -3.512 -1.720 1.00 0.00 C ATOM 521 CG1 ILE A 35 -8.155 -3.825 -0.552 1.00 0.00 C ATOM 522 CG2 ILE A 35 -5.943 -2.796 -1.206 1.00 0.00 C ATOM 523 CD1 ILE A 35 -8.872 -5.155 -0.682 1.00 0.00 C ATOM 0 H ILE A 35 -9.278 -4.268 -2.977 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.168 -1.688 -2.412 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.889 -4.453 -2.175 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.589 -3.818 0.380 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.897 -3.029 -0.480 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.462 -3.408 -0.442 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.251 -2.637 -2.033 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.223 -1.834 -0.777 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.526 -5.301 0.178 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.467 -5.160 -1.595 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.139 -5.961 -0.722 1.00 0.00 H new ATOM 535 N SER A 36 -6.052 -1.512 -3.881 1.00 0.00 N ATOM 536 CA SER A 36 -5.057 -1.207 -4.911 1.00 0.00 C ATOM 537 C SER A 36 -3.805 -0.615 -4.258 1.00 0.00 C ATOM 538 O SER A 36 -3.876 -0.120 -3.133 1.00 0.00 O ATOM 539 CB SER A 36 -5.629 -0.227 -5.938 1.00 0.00 C ATOM 540 OG SER A 36 -6.700 -0.813 -6.661 1.00 0.00 O ATOM 0 H SER A 36 -5.980 -0.921 -3.053 1.00 0.00 H new ATOM 0 HA SER A 36 -4.792 -2.129 -5.428 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.977 0.673 -5.432 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.844 0.080 -6.629 1.00 0.00 H new ATOM 0 HG SER A 36 -7.049 -0.167 -7.309 1.00 0.00 H new ATOM 546 N TRP A 37 -2.662 -0.674 -4.957 1.00 0.00 N ATOM 547 CA TRP A 37 -1.392 -0.151 -4.424 1.00 0.00 C ATOM 548 C TRP A 37 -0.639 0.662 -5.476 1.00 0.00 C ATOM 549 O TRP A 37 -0.207 0.105 -6.479 1.00 0.00 O ATOM 550 CB TRP A 37 -0.512 -1.311 -3.947 1.00 0.00 C ATOM 551 CG TRP A 37 -0.752 -1.689 -2.518 1.00 0.00 C ATOM 552 CD1 TRP A 37 -1.487 -2.748 -2.070 1.00 0.00 C ATOM 553 CD2 TRP A 37 -0.265 -1.010 -1.353 1.00 0.00 C ATOM 554 NE1 TRP A 37 -1.486 -2.776 -0.699 1.00 0.00 N ATOM 555 CE2 TRP A 37 -0.741 -1.720 -0.232 1.00 0.00 C ATOM 556 CE3 TRP A 37 0.532 0.125 -1.143 1.00 0.00 C ATOM 557 CZ2 TRP A 37 -0.446 -1.329 1.074 1.00 0.00 C ATOM 558 CZ3 TRP A 37 0.818 0.512 0.156 1.00 0.00 C ATOM 559 CH2 TRP A 37 0.333 -0.213 1.247 1.00 0.00 C ATOM 0 H TRP A 37 -2.589 -1.077 -5.891 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.625 0.507 -3.586 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.693 -2.179 -4.580 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.536 -1.038 -4.072 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.995 -3.460 -2.703 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -1.961 -3.468 -0.120 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.916 0.688 -1.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -0.818 -1.886 1.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.426 1.388 0.328 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.576 0.112 2.248 1.00 0.00 H new ATOM 570 N PHE A 38 -0.473 1.972 -5.232 1.00 0.00 N ATOM 571 CA PHE A 38 0.232 2.865 -6.170 1.00 0.00 C ATOM 572 C PHE A 38 1.503 3.455 -5.565 1.00 0.00 C ATOM 573 O PHE A 38 1.426 4.292 -4.671 1.00 0.00 O ATOM 574 CB PHE A 38 -0.664 4.032 -6.571 1.00 0.00 C ATOM 575 CG PHE A 38 -1.956 3.625 -7.202 1.00 0.00 C ATOM 576 CD1 PHE A 38 -3.029 3.239 -6.424 1.00 0.00 C ATOM 577 CD2 PHE A 38 -2.090 3.635 -8.573 1.00 0.00 C ATOM 578 CE1 PHE A 38 -4.224 2.864 -7.007 1.00 0.00 C ATOM 579 CE2 PHE A 38 -3.280 3.262 -9.169 1.00 0.00 C ATOM 580 CZ PHE A 38 -4.350 2.875 -8.384 1.00 0.00 C ATOM 0 H PHE A 38 -0.817 2.438 -4.393 1.00 0.00 H new ATOM 0 HA PHE A 38 0.493 2.252 -7.033 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.878 4.632 -5.686 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.119 4.672 -7.265 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.933 3.230 -5.348 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.256 3.938 -9.189 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.057 2.563 -6.389 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.374 3.273 -10.245 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.282 2.582 -8.845 1.00 0.00 H new ATOM 590 N SER A 39 2.668 3.057 -6.085 1.00 0.00 N ATOM 591 CA SER A 39 3.948 3.591 -5.599 1.00 0.00 C ATOM 592 C SER A 39 4.021 5.115 -5.823 1.00 0.00 C ATOM 593 O SER A 39 3.331 5.633 -6.720 1.00 0.00 O ATOM 594 CB SER A 39 5.139 2.852 -6.246 1.00 0.00 C ATOM 595 OG SER A 39 5.957 3.700 -7.040 1.00 0.00 O ATOM 0 H SER A 39 2.754 2.373 -6.836 1.00 0.00 H new ATOM 0 HA SER A 39 4.011 3.416 -4.525 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.747 2.400 -5.462 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.761 2.038 -6.865 1.00 0.00 H new ATOM 0 HG SER A 39 6.647 3.165 -7.486 1.00 0.00 H new ATOM 601 N PRO A 40 4.869 5.844 -5.013 1.00 0.00 N ATOM 602 CA PRO A 40 5.056 7.315 -5.078 1.00 0.00 C ATOM 603 C PRO A 40 4.937 7.884 -6.497 1.00 0.00 C ATOM 604 O PRO A 40 3.922 8.499 -6.835 1.00 0.00 O ATOM 605 CB PRO A 40 6.474 7.518 -4.483 1.00 0.00 C ATOM 606 CG PRO A 40 6.963 6.149 -4.107 1.00 0.00 C ATOM 607 CD PRO A 40 5.744 5.289 -3.970 1.00 0.00 C ATOM 0 HA PRO A 40 4.278 7.850 -4.533 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.139 7.984 -5.210 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.442 8.174 -3.613 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.634 5.753 -4.869 1.00 0.00 H new ATOM 0 HG3 PRO A 40 7.524 6.180 -3.173 1.00 0.00 H new ATOM 0 HD2 PRO A 40 5.965 4.235 -4.139 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.298 5.366 -2.978 1.00 0.00 H new ATOM 615 N ASN A 41 5.941 7.622 -7.332 1.00 0.00 N ATOM 616 CA ASN A 41 5.917 8.048 -8.730 1.00 0.00 C ATOM 617 C ASN A 41 5.983 6.803 -9.620 1.00 0.00 C ATOM 618 O ASN A 41 6.633 6.804 -10.672 1.00 0.00 O ATOM 619 CB ASN A 41 7.075 9.016 -9.034 1.00 0.00 C ATOM 620 CG ASN A 41 6.675 10.127 -9.999 1.00 0.00 C ATOM 621 OD1 ASN A 41 7.032 11.289 -9.799 1.00 0.00 O ATOM 622 ND2 ASN A 41 5.930 9.783 -11.055 1.00 0.00 N ATOM 0 H ASN A 41 6.784 7.115 -7.063 1.00 0.00 H new ATOM 0 HA ASN A 41 4.993 8.589 -8.933 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.427 9.459 -8.102 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.910 8.456 -9.456 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.639 10.493 -11.727 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.653 8.810 -11.189 1.00 0.00 H new ATOM 629 N GLY A 42 5.305 5.727 -9.175 1.00 0.00 N ATOM 630 CA GLY A 42 5.299 4.477 -9.920 1.00 0.00 C ATOM 631 C GLY A 42 3.916 4.040 -10.349 1.00 0.00 C ATOM 632 O GLY A 42 3.794 3.217 -11.260 1.00 0.00 O ATOM 0 H GLY A 42 4.763 5.709 -8.311 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.928 4.586 -10.804 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.745 3.695 -9.306 1.00 0.00 H new ATOM 636 N GLU A 43 2.858 4.561 -9.694 1.00 0.00 N ATOM 637 CA GLU A 43 1.477 4.172 -10.037 1.00 0.00 C ATOM 638 C GLU A 43 1.239 2.734 -9.585 1.00 0.00 C ATOM 639 O GLU A 43 2.068 2.172 -8.871 1.00 0.00 O ATOM 640 CB GLU A 43 1.193 4.331 -11.548 1.00 0.00 C ATOM 641 CG GLU A 43 1.742 5.627 -12.158 1.00 0.00 C ATOM 642 CD GLU A 43 0.678 6.463 -12.851 1.00 0.00 C ATOM 643 OE1 GLU A 43 0.345 6.155 -14.013 1.00 0.00 O ATOM 644 OE2 GLU A 43 0.181 7.426 -12.228 1.00 0.00 O ATOM 0 H GLU A 43 2.932 5.241 -8.937 1.00 0.00 H new ATOM 0 HA GLU A 43 0.787 4.838 -9.518 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.624 3.482 -12.079 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.116 4.294 -11.710 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.207 6.222 -11.372 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.524 5.380 -12.875 1.00 0.00 H new ATOM 651 N LYS A 44 0.108 2.136 -9.972 1.00 0.00 N ATOM 652 CA LYS A 44 -0.210 0.768 -9.546 1.00 0.00 C ATOM 653 C LYS A 44 0.889 -0.242 -9.893 1.00 0.00 C ATOM 654 O LYS A 44 1.090 -0.586 -11.060 1.00 0.00 O ATOM 655 CB LYS A 44 -1.551 0.301 -10.097 1.00 0.00 C ATOM 656 CG LYS A 44 -2.230 -0.723 -9.191 1.00 0.00 C ATOM 657 CD LYS A 44 -3.745 -0.670 -9.314 1.00 0.00 C ATOM 658 CE LYS A 44 -4.412 -1.741 -8.468 1.00 0.00 C ATOM 659 NZ LYS A 44 -4.138 -3.111 -8.985 1.00 0.00 N ATOM 0 H LYS A 44 -0.594 2.570 -10.571 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.276 0.810 -8.459 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.208 1.162 -10.224 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.402 -0.135 -11.085 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.879 -1.723 -9.446 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.943 -0.539 -8.156 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.102 0.313 -9.006 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.031 -0.800 -10.358 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.058 -1.664 -7.440 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.488 -1.569 -8.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.754 -3.795 -8.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.326 -3.140 -10.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.143 -3.356 -8.808 1.00 0.00 H new ATOM 673 N LEU A 45 1.593 -0.711 -8.854 1.00 0.00 N ATOM 674 CA LEU A 45 2.675 -1.683 -9.020 1.00 0.00 C ATOM 675 C LEU A 45 2.122 -3.063 -9.363 1.00 0.00 C ATOM 676 O LEU A 45 0.911 -3.288 -9.294 1.00 0.00 O ATOM 677 CB LEU A 45 3.506 -1.788 -7.737 1.00 0.00 C ATOM 678 CG LEU A 45 4.074 -0.456 -7.208 1.00 0.00 C ATOM 679 CD1 LEU A 45 3.979 -0.384 -5.685 1.00 0.00 C ATOM 680 CD2 LEU A 45 5.520 -0.267 -7.661 1.00 0.00 C ATOM 0 H LEU A 45 1.429 -0.430 -7.887 1.00 0.00 H new ATOM 0 HA LEU A 45 3.305 -1.335 -9.838 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.887 -2.235 -6.959 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.336 -2.472 -7.916 1.00 0.00 H new ATOM 0 HG LEU A 45 3.472 0.352 -7.624 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.387 0.566 -5.340 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.935 -0.463 -5.381 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.547 -1.204 -5.246 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.901 0.679 -7.277 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.131 -1.086 -7.280 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.562 -0.259 -8.750 1.00 0.00 H new ATOM 692 N SER A 46 3.023 -3.987 -9.710 1.00 0.00 N ATOM 693 CA SER A 46 2.640 -5.355 -10.039 1.00 0.00 C ATOM 694 C SER A 46 2.572 -6.203 -8.764 1.00 0.00 C ATOM 695 O SER A 46 3.297 -5.925 -7.806 1.00 0.00 O ATOM 696 CB SER A 46 3.642 -5.962 -11.024 1.00 0.00 C ATOM 697 OG SER A 46 4.092 -4.994 -11.958 1.00 0.00 O ATOM 0 H SER A 46 4.025 -3.807 -9.769 1.00 0.00 H new ATOM 0 HA SER A 46 1.655 -5.342 -10.506 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.493 -6.368 -10.477 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.178 -6.794 -11.553 1.00 0.00 H new ATOM 0 HG SER A 46 4.732 -5.407 -12.574 1.00 0.00 H new ATOM 703 N PRO A 47 1.703 -7.248 -8.717 1.00 0.00 N ATOM 704 CA PRO A 47 1.573 -8.108 -7.531 1.00 0.00 C ATOM 705 C PRO A 47 2.787 -9.018 -7.319 1.00 0.00 C ATOM 706 O PRO A 47 3.053 -9.445 -6.193 1.00 0.00 O ATOM 707 CB PRO A 47 0.315 -8.932 -7.823 1.00 0.00 C ATOM 708 CG PRO A 47 0.238 -8.988 -9.306 1.00 0.00 C ATOM 709 CD PRO A 47 0.787 -7.677 -9.802 1.00 0.00 C ATOM 0 HA PRO A 47 1.509 -7.523 -6.613 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.387 -9.931 -7.392 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.573 -8.464 -7.398 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.817 -9.825 -9.695 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.790 -9.130 -9.638 1.00 0.00 H new ATOM 0 HD2 PRO A 47 1.315 -7.796 -10.748 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -0.006 -6.948 -9.969 1.00 0.00 H new ATOM 717 N ASN A 48 3.517 -9.314 -8.402 1.00 0.00 N ATOM 718 CA ASN A 48 4.697 -10.172 -8.330 1.00 0.00 C ATOM 719 C ASN A 48 5.710 -9.775 -9.410 1.00 0.00 C ATOM 720 O ASN A 48 5.790 -10.405 -10.469 1.00 0.00 O ATOM 721 CB ASN A 48 4.295 -11.647 -8.484 1.00 0.00 C ATOM 722 CG ASN A 48 3.217 -12.071 -7.500 1.00 0.00 C ATOM 723 OD1 ASN A 48 3.515 -12.500 -6.386 1.00 0.00 O ATOM 724 ND2 ASN A 48 1.952 -11.953 -7.906 1.00 0.00 N ATOM 0 H ASN A 48 3.307 -8.969 -9.339 1.00 0.00 H new ATOM 0 HA ASN A 48 5.164 -10.042 -7.354 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.940 -11.818 -9.500 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.175 -12.275 -8.344 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.190 -12.223 -7.285 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.747 -11.593 -8.838 1.00 0.00 H new ATOM 731 N GLN A 49 6.482 -8.715 -9.134 1.00 0.00 N ATOM 732 CA GLN A 49 7.496 -8.223 -10.084 1.00 0.00 C ATOM 733 C GLN A 49 8.887 -8.773 -9.748 1.00 0.00 C ATOM 734 O GLN A 49 9.345 -9.721 -10.392 1.00 0.00 O ATOM 735 CB GLN A 49 7.518 -6.674 -10.174 1.00 0.00 C ATOM 736 CG GLN A 49 7.155 -5.925 -8.890 1.00 0.00 C ATOM 737 CD GLN A 49 7.881 -4.596 -8.756 1.00 0.00 C ATOM 738 OE1 GLN A 49 9.101 -4.531 -8.899 1.00 0.00 O ATOM 739 NE2 GLN A 49 7.136 -3.526 -8.479 1.00 0.00 N ATOM 0 H GLN A 49 6.426 -8.182 -8.266 1.00 0.00 H new ATOM 0 HA GLN A 49 7.211 -8.596 -11.068 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.515 -6.361 -10.484 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.828 -6.365 -10.959 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.079 -5.750 -8.869 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.392 -6.551 -8.030 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.127 -3.622 -8.368 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.575 -2.611 -8.378 1.00 0.00 H new ATOM 748 N GLN A 50 9.560 -8.185 -8.748 1.00 0.00 N ATOM 749 CA GLN A 50 10.901 -8.633 -8.350 1.00 0.00 C ATOM 750 C GLN A 50 11.095 -8.499 -6.838 1.00 0.00 C ATOM 751 O GLN A 50 11.096 -9.497 -6.115 1.00 0.00 O ATOM 752 CB GLN A 50 12.030 -7.867 -9.107 1.00 0.00 C ATOM 753 CG GLN A 50 11.635 -7.238 -10.441 1.00 0.00 C ATOM 754 CD GLN A 50 11.675 -8.226 -11.593 1.00 0.00 C ATOM 755 OE1 GLN A 50 10.655 -8.495 -12.226 1.00 0.00 O ATOM 756 NE2 GLN A 50 12.857 -8.774 -11.876 1.00 0.00 N ATOM 0 H GLN A 50 9.199 -7.402 -8.203 1.00 0.00 H new ATOM 0 HA GLN A 50 10.976 -9.685 -8.626 1.00 0.00 H new ATOM 0 HB2 GLN A 50 12.408 -7.080 -8.455 1.00 0.00 H new ATOM 0 HB3 GLN A 50 12.855 -8.558 -9.284 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.630 -6.824 -10.359 1.00 0.00 H new ATOM 0 HG3 GLN A 50 12.306 -6.407 -10.658 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.679 -8.524 -11.327 1.00 0.00 H new ATOM 0 HE22 GLN A 50 12.939 -9.443 -12.642 1.00 0.00 H new ATOM 765 N ARG A 51 11.269 -7.263 -6.379 1.00 0.00 N ATOM 766 CA ARG A 51 11.484 -6.971 -4.963 1.00 0.00 C ATOM 767 C ARG A 51 10.192 -6.541 -4.277 1.00 0.00 C ATOM 768 O ARG A 51 9.935 -6.936 -3.137 1.00 0.00 O ATOM 769 CB ARG A 51 12.549 -5.892 -4.812 1.00 0.00 C ATOM 770 CG ARG A 51 13.902 -6.322 -5.359 1.00 0.00 C ATOM 771 CD ARG A 51 14.746 -5.135 -5.805 1.00 0.00 C ATOM 772 NE ARG A 51 14.553 -4.830 -7.227 1.00 0.00 N ATOM 773 CZ ARG A 51 15.431 -4.168 -7.996 1.00 0.00 C ATOM 774 NH1 ARG A 51 16.576 -3.700 -7.501 1.00 0.00 N ATOM 775 NH2 ARG A 51 15.152 -3.968 -9.279 1.00 0.00 N ATOM 0 H ARG A 51 11.265 -6.436 -6.976 1.00 0.00 H new ATOM 0 HA ARG A 51 11.826 -7.885 -4.478 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.222 -4.990 -5.330 1.00 0.00 H new ATOM 0 HB3 ARG A 51 12.653 -5.635 -3.758 1.00 0.00 H new ATOM 0 HG2 ARG A 51 14.440 -6.881 -4.594 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.753 -6.997 -6.202 1.00 0.00 H new ATOM 0 HD2 ARG A 51 14.487 -4.261 -5.208 1.00 0.00 H new ATOM 0 HD3 ARG A 51 15.799 -5.348 -5.619 1.00 0.00 H new ATOM 0 HE ARG A 51 13.687 -5.145 -7.664 1.00 0.00 H new ATOM 0 HH11 ARG A 51 16.802 -3.842 -6.516 1.00 0.00 H new ATOM 0 HH12 ARG A 51 17.227 -3.200 -8.107 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.277 -4.316 -9.671 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.813 -3.466 -9.872 1.00 0.00 H new ATOM 789 N ILE A 52 9.375 -5.739 -4.974 1.00 0.00 N ATOM 790 CA ILE A 52 8.102 -5.275 -4.415 1.00 0.00 C ATOM 791 C ILE A 52 6.992 -6.283 -4.730 1.00 0.00 C ATOM 792 O ILE A 52 6.620 -6.464 -5.890 1.00 0.00 O ATOM 793 CB ILE A 52 7.711 -3.859 -4.929 1.00 0.00 C ATOM 794 CG1 ILE A 52 8.834 -2.853 -4.608 1.00 0.00 C ATOM 795 CG2 ILE A 52 6.387 -3.403 -4.308 1.00 0.00 C ATOM 796 CD1 ILE A 52 8.534 -1.416 -5.011 1.00 0.00 C ATOM 0 H ILE A 52 9.572 -5.402 -5.916 1.00 0.00 H new ATOM 0 HA ILE A 52 8.228 -5.199 -3.335 1.00 0.00 H new ATOM 0 HB ILE A 52 7.579 -3.905 -6.010 1.00 0.00 H new ATOM 0 HG12 ILE A 52 9.034 -2.882 -3.537 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.746 -3.174 -5.111 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.133 -2.411 -4.681 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.598 -4.105 -4.577 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.487 -3.368 -3.223 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.379 -0.780 -4.747 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.366 -1.367 -6.087 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.642 -1.070 -4.488 1.00 0.00 H new ATOM 808 N SER A 53 6.475 -6.939 -3.685 1.00 0.00 N ATOM 809 CA SER A 53 5.415 -7.936 -3.834 1.00 0.00 C ATOM 810 C SER A 53 4.155 -7.530 -3.064 1.00 0.00 C ATOM 811 O SER A 53 4.185 -7.406 -1.838 1.00 0.00 O ATOM 812 CB SER A 53 5.919 -9.291 -3.335 1.00 0.00 C ATOM 813 OG SER A 53 5.172 -10.353 -3.900 1.00 0.00 O ATOM 0 H SER A 53 6.778 -6.794 -2.722 1.00 0.00 H new ATOM 0 HA SER A 53 5.153 -8.005 -4.890 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.972 -9.407 -3.590 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.848 -9.331 -2.248 1.00 0.00 H new ATOM 0 HG SER A 53 4.559 -9.998 -4.577 1.00 0.00 H new ATOM 819 N VAL A 54 3.050 -7.333 -3.794 1.00 0.00 N ATOM 820 CA VAL A 54 1.769 -6.954 -3.186 1.00 0.00 C ATOM 821 C VAL A 54 0.985 -8.210 -2.806 1.00 0.00 C ATOM 822 O VAL A 54 1.227 -9.283 -3.366 1.00 0.00 O ATOM 823 CB VAL A 54 0.904 -6.088 -4.144 1.00 0.00 C ATOM 824 CG1 VAL A 54 -0.321 -5.524 -3.430 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.723 -4.956 -4.752 1.00 0.00 C ATOM 0 H VAL A 54 3.018 -7.430 -4.809 1.00 0.00 H new ATOM 0 HA VAL A 54 1.992 -6.361 -2.299 1.00 0.00 H new ATOM 0 HB VAL A 54 0.562 -6.740 -4.948 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.904 -4.923 -4.128 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.934 -6.344 -3.057 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.001 -4.901 -2.595 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.092 -4.367 -5.418 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.107 -4.317 -3.957 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.557 -5.373 -5.317 1.00 0.00 H new ATOM 835 N VAL A 55 0.050 -8.077 -1.858 1.00 0.00 N ATOM 836 CA VAL A 55 -0.757 -9.217 -1.421 1.00 0.00 C ATOM 837 C VAL A 55 -2.103 -8.774 -0.837 1.00 0.00 C ATOM 838 O VAL A 55 -2.252 -7.648 -0.383 1.00 0.00 O ATOM 839 CB VAL A 55 0.020 -10.080 -0.383 1.00 0.00 C ATOM 840 CG1 VAL A 55 0.369 -9.269 0.861 1.00 0.00 C ATOM 841 CG2 VAL A 55 -0.750 -11.342 0.004 1.00 0.00 C ATOM 0 H VAL A 55 -0.164 -7.199 -1.384 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.960 -9.823 -2.304 1.00 0.00 H new ATOM 0 HB VAL A 55 0.947 -10.391 -0.865 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.911 -9.899 1.566 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.993 -8.421 0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.547 -8.907 1.328 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.171 -11.913 0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.708 -11.063 0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.921 -11.951 -0.884 1.00 0.00 H new ATOM 851 N TRP A 56 -3.066 -9.693 -0.837 1.00 0.00 N ATOM 852 CA TRP A 56 -4.395 -9.446 -0.289 1.00 0.00 C ATOM 853 C TRP A 56 -4.749 -10.615 0.620 1.00 0.00 C ATOM 854 O TRP A 56 -4.963 -11.732 0.145 1.00 0.00 O ATOM 855 CB TRP A 56 -5.407 -9.288 -1.416 1.00 0.00 C ATOM 856 CG TRP A 56 -5.101 -8.116 -2.296 1.00 0.00 C ATOM 857 CD1 TRP A 56 -5.623 -6.858 -2.195 1.00 0.00 C ATOM 858 CD2 TRP A 56 -4.184 -8.082 -3.398 1.00 0.00 C ATOM 859 NE1 TRP A 56 -5.102 -6.050 -3.172 1.00 0.00 N ATOM 860 CE2 TRP A 56 -4.218 -6.777 -3.926 1.00 0.00 C ATOM 861 CE3 TRP A 56 -3.341 -9.028 -3.994 1.00 0.00 C ATOM 862 CZ2 TRP A 56 -3.446 -6.395 -5.019 1.00 0.00 C ATOM 863 CZ3 TRP A 56 -2.574 -8.645 -5.080 1.00 0.00 C ATOM 864 CH2 TRP A 56 -2.632 -7.340 -5.582 1.00 0.00 C ATOM 0 H TRP A 56 -2.945 -10.631 -1.218 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.411 -8.521 0.287 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -5.422 -10.197 -2.018 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -6.404 -9.170 -0.992 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -6.342 -6.545 -1.453 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.334 -5.067 -3.315 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -3.290 -10.037 -3.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.488 -5.389 -5.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.920 -9.365 -5.548 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.021 -7.073 -6.432 1.00 0.00 H new ATOM 875 N ASN A 57 -4.738 -10.371 1.937 1.00 0.00 N ATOM 876 CA ASN A 57 -4.983 -11.434 2.919 1.00 0.00 C ATOM 877 C ASN A 57 -6.433 -11.476 3.420 1.00 0.00 C ATOM 878 O ASN A 57 -7.212 -12.320 2.973 1.00 0.00 O ATOM 879 CB ASN A 57 -3.996 -11.282 4.084 1.00 0.00 C ATOM 880 CG ASN A 57 -2.550 -11.364 3.633 1.00 0.00 C ATOM 881 OD1 ASN A 57 -2.044 -12.445 3.330 1.00 0.00 O ATOM 882 ND2 ASN A 57 -1.874 -10.217 3.587 1.00 0.00 N ATOM 0 H ASN A 57 -4.563 -9.453 2.345 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.821 -12.389 2.419 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.166 -10.325 4.578 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.188 -12.060 4.823 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.898 -10.212 3.292 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.333 -9.344 3.847 1.00 0.00 H new ATOM 889 N ASP A 58 -6.788 -10.585 4.357 1.00 0.00 N ATOM 890 CA ASP A 58 -8.144 -10.552 4.923 1.00 0.00 C ATOM 891 C ASP A 58 -9.189 -10.232 3.854 1.00 0.00 C ATOM 892 O ASP A 58 -8.854 -10.064 2.680 1.00 0.00 O ATOM 893 CB ASP A 58 -8.227 -9.529 6.062 1.00 0.00 C ATOM 894 CG ASP A 58 -7.370 -9.913 7.252 1.00 0.00 C ATOM 895 OD1 ASP A 58 -6.270 -10.466 7.040 1.00 0.00 O ATOM 896 OD2 ASP A 58 -7.800 -9.663 8.397 1.00 0.00 O ATOM 0 H ASP A 58 -6.157 -9.880 4.738 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.359 -11.544 5.320 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.913 -8.553 5.693 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.264 -9.430 6.382 1.00 0.00 H new ATOM 901 N ASP A 59 -10.462 -10.153 4.270 1.00 0.00 N ATOM 902 CA ASP A 59 -11.577 -9.860 3.356 1.00 0.00 C ATOM 903 C ASP A 59 -11.332 -8.593 2.534 1.00 0.00 C ATOM 904 O ASP A 59 -11.751 -8.510 1.377 1.00 0.00 O ATOM 905 CB ASP A 59 -12.879 -9.704 4.145 1.00 0.00 C ATOM 906 CG ASP A 59 -14.109 -9.918 3.285 1.00 0.00 C ATOM 907 OD1 ASP A 59 -14.512 -8.969 2.579 1.00 0.00 O ATOM 908 OD2 ASP A 59 -14.669 -11.034 3.316 1.00 0.00 O ATOM 0 H ASP A 59 -10.746 -10.289 5.240 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.654 -10.701 2.666 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.888 -10.417 4.970 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -12.916 -8.707 4.585 1.00 0.00 H new ATOM 913 N ASP A 60 -10.658 -7.609 3.142 1.00 0.00 N ATOM 914 CA ASP A 60 -10.369 -6.345 2.460 1.00 0.00 C ATOM 915 C ASP A 60 -9.046 -5.707 2.911 1.00 0.00 C ATOM 916 O ASP A 60 -8.817 -4.524 2.645 1.00 0.00 O ATOM 917 CB ASP A 60 -11.530 -5.374 2.682 1.00 0.00 C ATOM 918 CG ASP A 60 -12.676 -5.614 1.719 1.00 0.00 C ATOM 919 OD1 ASP A 60 -12.408 -5.924 0.539 1.00 0.00 O ATOM 920 OD2 ASP A 60 -13.844 -5.496 2.146 1.00 0.00 O ATOM 0 H ASP A 60 -10.306 -7.664 4.098 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.257 -6.565 1.398 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.892 -5.473 3.705 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.171 -4.351 2.568 1.00 0.00 H new ATOM 925 N SER A 61 -8.166 -6.480 3.572 1.00 0.00 N ATOM 926 CA SER A 61 -6.867 -5.965 4.022 1.00 0.00 C ATOM 927 C SER A 61 -5.754 -6.460 3.092 1.00 0.00 C ATOM 928 O SER A 61 -5.773 -7.614 2.646 1.00 0.00 O ATOM 929 CB SER A 61 -6.603 -6.361 5.485 1.00 0.00 C ATOM 930 OG SER A 61 -5.846 -7.559 5.598 1.00 0.00 O ATOM 0 H SER A 61 -8.333 -7.459 3.804 1.00 0.00 H new ATOM 0 HA SER A 61 -6.882 -4.876 3.978 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.073 -5.552 5.987 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.555 -6.487 6.001 1.00 0.00 H new ATOM 0 HG SER A 61 -5.703 -7.768 6.545 1.00 0.00 H new ATOM 936 N SER A 62 -4.804 -5.570 2.778 1.00 0.00 N ATOM 937 CA SER A 62 -3.709 -5.904 1.864 1.00 0.00 C ATOM 938 C SER A 62 -2.352 -5.512 2.450 1.00 0.00 C ATOM 939 O SER A 62 -2.274 -5.085 3.600 1.00 0.00 O ATOM 940 CB SER A 62 -3.955 -5.198 0.530 1.00 0.00 C ATOM 941 OG SER A 62 -5.312 -5.324 0.146 1.00 0.00 O ATOM 0 H SER A 62 -4.773 -4.618 3.142 1.00 0.00 H new ATOM 0 HA SER A 62 -3.685 -6.983 1.710 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.691 -4.144 0.616 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.312 -5.626 -0.239 1.00 0.00 H new ATOM 0 HG SER A 62 -5.376 -5.331 -0.832 1.00 0.00 H new ATOM 947 N THR A 63 -1.287 -5.663 1.650 1.00 0.00 N ATOM 948 CA THR A 63 0.063 -5.330 2.089 1.00 0.00 C ATOM 949 C THR A 63 0.974 -5.016 0.900 1.00 0.00 C ATOM 950 O THR A 63 0.827 -5.592 -0.185 1.00 0.00 O ATOM 951 CB THR A 63 0.668 -6.470 2.919 1.00 0.00 C ATOM 952 OG1 THR A 63 -0.333 -7.134 3.676 1.00 0.00 O ATOM 953 CG2 THR A 63 1.752 -6.000 3.875 1.00 0.00 C ATOM 0 H THR A 63 -1.342 -6.015 0.694 1.00 0.00 H new ATOM 0 HA THR A 63 -0.011 -4.440 2.713 1.00 0.00 H new ATOM 0 HB THR A 63 1.117 -7.150 2.196 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.076 -7.857 4.196 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.140 -6.852 4.433 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.561 -5.538 3.309 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.334 -5.272 4.570 1.00 0.00 H new ATOM 961 N LEU A 64 1.925 -4.106 1.130 1.00 0.00 N ATOM 962 CA LEU A 64 2.892 -3.689 0.122 1.00 0.00 C ATOM 963 C LEU A 64 4.293 -4.020 0.604 1.00 0.00 C ATOM 964 O LEU A 64 4.909 -3.218 1.313 1.00 0.00 O ATOM 965 CB LEU A 64 2.782 -2.169 -0.115 1.00 0.00 C ATOM 966 CG LEU A 64 3.390 -1.568 -1.420 1.00 0.00 C ATOM 967 CD1 LEU A 64 4.370 -0.442 -1.093 1.00 0.00 C ATOM 968 CD2 LEU A 64 4.059 -2.614 -2.317 1.00 0.00 C ATOM 0 H LEU A 64 2.043 -3.637 2.028 1.00 0.00 H new ATOM 0 HA LEU A 64 2.687 -4.214 -0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.724 -1.907 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.253 -1.668 0.730 1.00 0.00 H new ATOM 0 HG LEU A 64 2.551 -1.164 -1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.782 -0.038 -2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.849 0.348 -0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.179 -0.832 -0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.460 -2.128 -3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.869 -3.097 -1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.324 -3.363 -2.613 1.00 0.00 H new ATOM 980 N THR A 65 4.788 -5.203 0.233 1.00 0.00 N ATOM 981 CA THR A 65 6.121 -5.634 0.648 1.00 0.00 C ATOM 982 C THR A 65 7.175 -5.079 -0.308 1.00 0.00 C ATOM 983 O THR A 65 6.930 -4.949 -1.504 1.00 0.00 O ATOM 984 CB THR A 65 6.213 -7.181 0.756 1.00 0.00 C ATOM 985 OG1 THR A 65 4.945 -7.792 0.570 1.00 0.00 O ATOM 986 CG2 THR A 65 6.741 -7.656 2.098 1.00 0.00 C ATOM 0 H THR A 65 4.288 -5.874 -0.350 1.00 0.00 H new ATOM 0 HA THR A 65 6.314 -5.234 1.643 1.00 0.00 H new ATOM 0 HB THR A 65 6.909 -7.472 -0.031 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.814 -7.991 -0.381 1.00 0.00 H new ATOM 0 HG21 THR A 65 6.781 -8.745 2.108 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.742 -7.255 2.258 1.00 0.00 H new ATOM 0 HG23 THR A 65 6.080 -7.309 2.892 1.00 0.00 H new ATOM 994 N ILE A 66 8.343 -4.748 0.242 1.00 0.00 N ATOM 995 CA ILE A 66 9.457 -4.201 -0.531 1.00 0.00 C ATOM 996 C ILE A 66 10.749 -4.809 0.015 1.00 0.00 C ATOM 997 O ILE A 66 11.449 -4.204 0.828 1.00 0.00 O ATOM 998 CB ILE A 66 9.496 -2.646 -0.471 1.00 0.00 C ATOM 999 CG1 ILE A 66 8.119 -2.073 -0.855 1.00 0.00 C ATOM 1000 CG2 ILE A 66 10.605 -2.073 -1.371 1.00 0.00 C ATOM 1001 CD1 ILE A 66 7.989 -0.582 -0.653 1.00 0.00 C ATOM 0 H ILE A 66 8.543 -4.852 1.237 1.00 0.00 H new ATOM 0 HA ILE A 66 9.334 -4.459 -1.583 1.00 0.00 H new ATOM 0 HB ILE A 66 9.729 -2.348 0.551 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.921 -2.305 -1.901 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.352 -2.576 -0.266 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.602 -0.985 -1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.572 -2.454 -1.044 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.427 -2.373 -2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.990 -0.261 -0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.153 -0.341 0.397 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.730 -0.066 -1.263 1.00 0.00 H new ATOM 1013 N TYR A 67 11.009 -6.054 -0.405 1.00 0.00 N ATOM 1014 CA TYR A 67 12.164 -6.848 0.050 1.00 0.00 C ATOM 1015 C TYR A 67 13.502 -6.085 0.065 1.00 0.00 C ATOM 1016 O TYR A 67 14.089 -5.872 1.127 1.00 0.00 O ATOM 1017 CB TYR A 67 12.297 -8.115 -0.816 1.00 0.00 C ATOM 1018 CG TYR A 67 11.014 -8.932 -0.938 1.00 0.00 C ATOM 1019 CD1 TYR A 67 10.176 -9.135 0.158 1.00 0.00 C ATOM 1020 CD2 TYR A 67 10.641 -9.493 -2.154 1.00 0.00 C ATOM 1021 CE1 TYR A 67 9.013 -9.873 0.042 1.00 0.00 C ATOM 1022 CE2 TYR A 67 9.479 -10.232 -2.276 1.00 0.00 C ATOM 1023 CZ TYR A 67 8.670 -10.419 -1.177 1.00 0.00 C ATOM 1024 OH TYR A 67 7.513 -11.155 -1.297 1.00 0.00 O ATOM 0 H TYR A 67 10.419 -6.545 -1.077 1.00 0.00 H new ATOM 0 HA TYR A 67 11.957 -7.103 1.089 1.00 0.00 H new ATOM 0 HB2 TYR A 67 12.625 -7.825 -1.814 1.00 0.00 H new ATOM 0 HB3 TYR A 67 13.078 -8.748 -0.395 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.440 -8.708 1.114 1.00 0.00 H new ATOM 0 HD2 TYR A 67 11.271 -9.349 -3.020 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.376 -10.021 0.902 1.00 0.00 H new ATOM 0 HE2 TYR A 67 9.207 -10.661 -3.229 1.00 0.00 H new ATOM 0 HH TYR A 67 7.418 -11.467 -2.221 1.00 0.00 H new ATOM 1034 N ASN A 68 13.988 -5.725 -1.116 1.00 0.00 N ATOM 1035 CA ASN A 68 15.272 -5.029 -1.258 1.00 0.00 C ATOM 1036 C ASN A 68 15.269 -3.642 -0.615 1.00 0.00 C ATOM 1037 O ASN A 68 15.980 -3.404 0.361 1.00 0.00 O ATOM 1038 CB ASN A 68 15.664 -4.921 -2.735 1.00 0.00 C ATOM 1039 CG ASN A 68 17.107 -4.482 -2.930 1.00 0.00 C ATOM 1040 OD1 ASN A 68 17.989 -5.308 -3.168 1.00 0.00 O ATOM 1041 ND2 ASN A 68 17.360 -3.178 -2.829 1.00 0.00 N ATOM 0 H ASN A 68 13.511 -5.903 -2.000 1.00 0.00 H new ATOM 0 HA ASN A 68 16.011 -5.628 -0.726 1.00 0.00 H new ATOM 0 HB2 ASN A 68 15.514 -5.887 -3.218 1.00 0.00 H new ATOM 0 HB3 ASN A 68 15.003 -4.211 -3.231 1.00 0.00 H new ATOM 0 HD21 ASN A 68 18.312 -2.832 -2.950 1.00 0.00 H new ATOM 0 HD22 ASN A 68 16.602 -2.525 -2.631 1.00 0.00 H new ATOM 1048 N ALA A 69 14.482 -2.727 -1.184 1.00 0.00 N ATOM 1049 CA ALA A 69 14.383 -1.332 -0.708 1.00 0.00 C ATOM 1050 C ALA A 69 15.584 -0.508 -1.177 1.00 0.00 C ATOM 1051 O ALA A 69 16.733 -0.861 -0.903 1.00 0.00 O ATOM 1052 CB ALA A 69 14.241 -1.236 0.816 1.00 0.00 C ATOM 0 H ALA A 69 13.891 -2.926 -1.991 1.00 0.00 H new ATOM 0 HA ALA A 69 13.473 -0.921 -1.145 1.00 0.00 H new ATOM 0 HB1 ALA A 69 14.172 -0.189 1.110 1.00 0.00 H new ATOM 0 HB2 ALA A 69 13.339 -1.761 1.131 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.110 -1.690 1.292 1.00 0.00 H new ATOM 1058 N ASN A 70 15.307 0.598 -1.882 1.00 0.00 N ATOM 1059 CA ASN A 70 16.354 1.489 -2.391 1.00 0.00 C ATOM 1060 C ASN A 70 15.896 2.950 -2.338 1.00 0.00 C ATOM 1061 O ASN A 70 14.698 3.240 -2.264 1.00 0.00 O ATOM 1062 CB ASN A 70 16.763 1.114 -3.827 1.00 0.00 C ATOM 1063 CG ASN A 70 15.588 0.726 -4.717 1.00 0.00 C ATOM 1064 OD1 ASN A 70 15.156 1.505 -5.564 1.00 0.00 O ATOM 1065 ND2 ASN A 70 15.069 -0.484 -4.528 1.00 0.00 N ATOM 0 H ASN A 70 14.359 0.896 -2.113 1.00 0.00 H new ATOM 0 HA ASN A 70 17.226 1.370 -1.748 1.00 0.00 H new ATOM 0 HB2 ASN A 70 17.286 1.957 -4.278 1.00 0.00 H new ATOM 0 HB3 ASN A 70 17.469 0.284 -3.789 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.282 -0.796 -5.097 1.00 0.00 H new ATOM 0 HD22 ASN A 70 15.458 -1.100 -3.814 1.00 0.00 H new ATOM 1072 N ILE A 71 16.854 3.880 -2.367 1.00 0.00 N ATOM 1073 CA ILE A 71 16.547 5.318 -2.305 1.00 0.00 C ATOM 1074 C ILE A 71 15.473 5.747 -3.318 1.00 0.00 C ATOM 1075 O ILE A 71 14.738 6.707 -3.072 1.00 0.00 O ATOM 1076 CB ILE A 71 17.810 6.179 -2.512 1.00 0.00 C ATOM 1077 CG1 ILE A 71 18.539 5.774 -3.797 1.00 0.00 C ATOM 1078 CG2 ILE A 71 18.734 6.051 -1.309 1.00 0.00 C ATOM 1079 CD1 ILE A 71 19.666 6.712 -4.173 1.00 0.00 C ATOM 0 H ILE A 71 17.849 3.667 -2.433 1.00 0.00 H new ATOM 0 HA ILE A 71 16.152 5.486 -1.303 1.00 0.00 H new ATOM 0 HB ILE A 71 17.506 7.221 -2.610 1.00 0.00 H new ATOM 0 HG12 ILE A 71 18.940 4.768 -3.676 1.00 0.00 H new ATOM 0 HG13 ILE A 71 17.821 5.735 -4.616 1.00 0.00 H new ATOM 0 HG21 ILE A 71 19.622 6.663 -1.466 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.214 6.390 -0.413 1.00 0.00 H new ATOM 0 HG23 ILE A 71 19.028 5.009 -1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 71 20.137 6.364 -5.092 1.00 0.00 H new ATOM 0 HD12 ILE A 71 19.269 7.715 -4.326 1.00 0.00 H new ATOM 0 HD13 ILE A 71 20.405 6.733 -3.372 1.00 0.00 H new ATOM 1091 N ASP A 72 15.373 5.020 -4.439 1.00 0.00 N ATOM 1092 CA ASP A 72 14.370 5.324 -5.462 1.00 0.00 C ATOM 1093 C ASP A 72 12.975 4.956 -4.955 1.00 0.00 C ATOM 1094 O ASP A 72 12.017 5.706 -5.157 1.00 0.00 O ATOM 1095 CB ASP A 72 14.678 4.584 -6.767 1.00 0.00 C ATOM 1096 CG ASP A 72 15.806 5.235 -7.544 1.00 0.00 C ATOM 1097 OD1 ASP A 72 15.759 6.469 -7.739 1.00 0.00 O ATOM 1098 OD2 ASP A 72 16.737 4.513 -7.958 1.00 0.00 O ATOM 0 H ASP A 72 15.971 4.223 -4.657 1.00 0.00 H new ATOM 0 HA ASP A 72 14.400 6.394 -5.666 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.943 3.551 -6.543 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.782 4.556 -7.387 1.00 0.00 H new ATOM 1103 N ASP A 73 12.874 3.802 -4.278 1.00 0.00 N ATOM 1104 CA ASP A 73 11.608 3.332 -3.716 1.00 0.00 C ATOM 1105 C ASP A 73 11.103 4.285 -2.631 1.00 0.00 C ATOM 1106 O ASP A 73 9.894 4.471 -2.479 1.00 0.00 O ATOM 1107 CB ASP A 73 11.775 1.921 -3.132 1.00 0.00 C ATOM 1108 CG ASP A 73 11.825 0.843 -4.200 1.00 0.00 C ATOM 1109 OD1 ASP A 73 12.289 1.132 -5.324 1.00 0.00 O ATOM 1110 OD2 ASP A 73 11.405 -0.296 -3.908 1.00 0.00 O ATOM 0 H ASP A 73 13.662 3.177 -4.108 1.00 0.00 H new ATOM 0 HA ASP A 73 10.873 3.303 -4.520 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.690 1.883 -2.542 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.948 1.714 -2.452 1.00 0.00 H new ATOM 1115 N ALA A 74 12.037 4.893 -1.874 1.00 0.00 N ATOM 1116 CA ALA A 74 11.679 5.834 -0.797 1.00 0.00 C ATOM 1117 C ALA A 74 10.742 6.955 -1.272 1.00 0.00 C ATOM 1118 O ALA A 74 11.181 7.911 -1.916 1.00 0.00 O ATOM 1119 CB ALA A 74 12.933 6.439 -0.179 1.00 0.00 C ATOM 0 H ALA A 74 13.040 4.750 -1.988 1.00 0.00 H new ATOM 0 HA ALA A 74 11.139 5.256 -0.047 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.650 7.131 0.614 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.553 5.645 0.237 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.494 6.975 -0.945 1.00 0.00 H new ATOM 1125 N GLY A 75 9.457 6.822 -0.936 1.00 0.00 N ATOM 1126 CA GLY A 75 8.462 7.816 -1.311 1.00 0.00 C ATOM 1127 C GLY A 75 7.106 7.506 -0.707 1.00 0.00 C ATOM 1128 O GLY A 75 6.954 6.490 -0.023 1.00 0.00 O ATOM 0 H GLY A 75 9.086 6.034 -0.405 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.790 8.802 -0.982 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.377 7.854 -2.397 1.00 0.00 H new ATOM 1132 N ILE A 76 6.119 8.372 -0.953 1.00 0.00 N ATOM 1133 CA ILE A 76 4.775 8.168 -0.417 1.00 0.00 C ATOM 1134 C ILE A 76 3.998 7.164 -1.284 1.00 0.00 C ATOM 1135 O ILE A 76 3.452 7.531 -2.330 1.00 0.00 O ATOM 1136 CB ILE A 76 4.011 9.547 -0.255 1.00 0.00 C ATOM 1137 CG1 ILE A 76 4.214 10.091 1.167 1.00 0.00 C ATOM 1138 CG2 ILE A 76 2.502 9.474 -0.558 1.00 0.00 C ATOM 1139 CD1 ILE A 76 5.526 10.811 1.360 1.00 0.00 C ATOM 0 H ILE A 76 6.226 9.215 -1.517 1.00 0.00 H new ATOM 0 HA ILE A 76 4.857 7.738 0.581 1.00 0.00 H new ATOM 0 HB ILE A 76 4.444 10.216 -0.999 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.397 10.772 1.406 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.156 9.264 1.875 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.056 10.459 -0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.353 9.146 -1.587 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.028 8.765 0.121 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.598 11.167 2.388 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.350 10.128 1.154 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.579 11.660 0.678 1.00 0.00 H new ATOM 1151 N TYR A 77 3.922 5.908 -0.821 1.00 0.00 N ATOM 1152 CA TYR A 77 3.166 4.882 -1.540 1.00 0.00 C ATOM 1153 C TYR A 77 1.677 5.150 -1.353 1.00 0.00 C ATOM 1154 O TYR A 77 1.305 6.070 -0.614 1.00 0.00 O ATOM 1155 CB TYR A 77 3.529 3.477 -1.062 1.00 0.00 C ATOM 1156 CG TYR A 77 4.893 3.011 -1.516 1.00 0.00 C ATOM 1157 CD1 TYR A 77 6.031 3.438 -0.856 1.00 0.00 C ATOM 1158 CD2 TYR A 77 5.042 2.136 -2.584 1.00 0.00 C ATOM 1159 CE1 TYR A 77 7.287 3.011 -1.240 1.00 0.00 C ATOM 1160 CE2 TYR A 77 6.294 1.699 -2.979 1.00 0.00 C ATOM 1161 CZ TYR A 77 7.413 2.140 -2.301 1.00 0.00 C ATOM 1162 OH TYR A 77 8.660 1.712 -2.690 1.00 0.00 O ATOM 0 H TYR A 77 4.369 5.585 0.037 1.00 0.00 H new ATOM 0 HA TYR A 77 3.420 4.931 -2.599 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.491 3.453 0.027 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.777 2.775 -1.423 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.935 4.119 -0.023 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.167 1.791 -3.115 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.164 3.357 -0.713 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.395 1.018 -3.811 1.00 0.00 H new ATOM 0 HH TYR A 77 8.573 1.102 -3.452 1.00 0.00 H new ATOM 1172 N LYS A 78 0.827 4.377 -2.032 1.00 0.00 N ATOM 1173 CA LYS A 78 -0.621 4.581 -1.955 1.00 0.00 C ATOM 1174 C LYS A 78 -1.389 3.272 -1.778 1.00 0.00 C ATOM 1175 O LYS A 78 -0.941 2.212 -2.204 1.00 0.00 O ATOM 1176 CB LYS A 78 -1.105 5.308 -3.225 1.00 0.00 C ATOM 1177 CG LYS A 78 -1.921 6.566 -2.947 1.00 0.00 C ATOM 1178 CD LYS A 78 -2.205 7.351 -4.223 1.00 0.00 C ATOM 1179 CE LYS A 78 -0.924 7.852 -4.877 1.00 0.00 C ATOM 1180 NZ LYS A 78 -1.158 9.063 -5.712 1.00 0.00 N ATOM 0 H LYS A 78 1.114 3.608 -2.638 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.821 5.189 -1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.239 5.576 -3.830 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.708 4.620 -3.818 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.863 6.291 -2.473 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.383 7.200 -2.243 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.748 6.719 -4.925 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.851 8.198 -3.992 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.189 8.081 -4.105 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.500 7.061 -5.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.260 9.370 -6.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.840 8.839 -6.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.538 9.827 -5.117 1.00 0.00 H new ATOM 1194 N CYS A 79 -2.574 3.385 -1.184 1.00 0.00 N ATOM 1195 CA CYS A 79 -3.467 2.252 -0.962 1.00 0.00 C ATOM 1196 C CYS A 79 -4.896 2.741 -1.235 1.00 0.00 C ATOM 1197 O CYS A 79 -5.484 3.460 -0.421 1.00 0.00 O ATOM 1198 CB CYS A 79 -3.223 1.660 0.467 1.00 0.00 C ATOM 1199 SG CYS A 79 -4.655 1.436 1.597 1.00 0.00 S ATOM 0 H CYS A 79 -2.944 4.272 -0.841 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.277 1.419 -1.639 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.747 0.687 0.343 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.504 2.305 0.972 1.00 0.00 H new ATOM 1204 N VAL A 80 -5.418 2.406 -2.423 1.00 0.00 N ATOM 1205 CA VAL A 80 -6.750 2.865 -2.842 1.00 0.00 C ATOM 1206 C VAL A 80 -7.789 1.750 -2.811 1.00 0.00 C ATOM 1207 O VAL A 80 -7.536 0.632 -3.263 1.00 0.00 O ATOM 1208 CB VAL A 80 -6.738 3.479 -4.271 1.00 0.00 C ATOM 1209 CG1 VAL A 80 -8.025 4.263 -4.528 1.00 0.00 C ATOM 1210 CG2 VAL A 80 -5.517 4.370 -4.490 1.00 0.00 C ATOM 0 H VAL A 80 -4.940 1.821 -3.109 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.024 3.632 -2.117 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.679 2.656 -4.983 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.999 4.686 -5.532 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.882 3.596 -4.437 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.113 5.068 -3.798 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.543 4.781 -5.499 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.527 5.185 -3.766 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.609 3.781 -4.361 1.00 0.00 H new ATOM 1220 N VAL A 81 -8.981 2.089 -2.306 1.00 0.00 N ATOM 1221 CA VAL A 81 -10.101 1.157 -2.237 1.00 0.00 C ATOM 1222 C VAL A 81 -11.270 1.743 -3.048 1.00 0.00 C ATOM 1223 O VAL A 81 -11.476 2.956 -3.038 1.00 0.00 O ATOM 1224 CB VAL A 81 -10.472 0.853 -0.732 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -11.951 1.071 -0.383 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -10.051 -0.567 -0.358 1.00 0.00 C ATOM 0 H VAL A 81 -9.191 3.016 -1.936 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.837 0.195 -2.677 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.917 1.583 -0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -12.115 0.839 0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -12.220 2.110 -0.571 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -12.570 0.419 -0.999 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.313 -0.762 0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.565 -1.280 -1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.974 -0.673 -0.487 1.00 0.00 H new ATOM 1236 N THR A 82 -12.022 0.889 -3.757 1.00 0.00 N ATOM 1237 CA THR A 82 -13.155 1.364 -4.567 1.00 0.00 C ATOM 1238 C THR A 82 -14.438 0.597 -4.257 1.00 0.00 C ATOM 1239 O THR A 82 -14.469 -0.632 -4.325 1.00 0.00 O ATOM 1240 CB THR A 82 -12.838 1.256 -6.056 1.00 0.00 C ATOM 1241 OG1 THR A 82 -11.486 1.598 -6.308 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.709 2.155 -6.907 1.00 0.00 C ATOM 0 H THR A 82 -11.871 -0.119 -3.787 1.00 0.00 H new ATOM 0 HA THR A 82 -13.315 2.410 -4.308 1.00 0.00 H new ATOM 0 HB THR A 82 -13.034 0.218 -6.326 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.302 1.521 -7.268 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.439 2.036 -7.956 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.756 1.884 -6.769 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.561 3.193 -6.609 1.00 0.00 H new ATOM 1250 N ALA A 83 -15.502 1.342 -3.931 1.00 0.00 N ATOM 1251 CA ALA A 83 -16.800 0.745 -3.621 1.00 0.00 C ATOM 1252 C ALA A 83 -17.482 0.239 -4.894 1.00 0.00 C ATOM 1253 O ALA A 83 -16.896 0.296 -5.978 1.00 0.00 O ATOM 1254 CB ALA A 83 -17.686 1.754 -2.891 1.00 0.00 C ATOM 0 H ALA A 83 -15.486 2.360 -3.876 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.641 -0.110 -2.964 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.649 1.296 -2.666 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -17.203 2.057 -1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -17.838 2.629 -3.523 1.00 0.00 H new ATOM 1260 N GLU A 84 -18.718 -0.253 -4.755 1.00 0.00 N ATOM 1261 CA GLU A 84 -19.475 -0.767 -5.895 1.00 0.00 C ATOM 1262 C GLU A 84 -20.066 0.374 -6.720 1.00 0.00 C ATOM 1263 O GLU A 84 -20.081 0.311 -7.953 1.00 0.00 O ATOM 1264 CB GLU A 84 -20.590 -1.703 -5.417 1.00 0.00 C ATOM 1265 CG GLU A 84 -21.003 -2.733 -6.456 1.00 0.00 C ATOM 1266 CD GLU A 84 -22.009 -3.732 -5.918 1.00 0.00 C ATOM 1267 OE1 GLU A 84 -23.159 -3.327 -5.646 1.00 0.00 O ATOM 1268 OE2 GLU A 84 -21.648 -4.918 -5.771 1.00 0.00 O ATOM 0 H GLU A 84 -19.212 -0.305 -3.864 1.00 0.00 H new ATOM 0 HA GLU A 84 -18.789 -1.328 -6.529 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -20.259 -2.220 -4.516 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -21.460 -1.108 -5.141 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -21.430 -2.222 -7.319 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -20.119 -3.266 -6.806 1.00 0.00 H new ATOM 1275 N ASP A 85 -20.552 1.413 -6.034 1.00 0.00 N ATOM 1276 CA ASP A 85 -21.148 2.570 -6.705 1.00 0.00 C ATOM 1277 C ASP A 85 -20.079 3.442 -7.370 1.00 0.00 C ATOM 1278 O ASP A 85 -20.326 4.034 -8.423 1.00 0.00 O ATOM 1279 CB ASP A 85 -21.969 3.405 -5.715 1.00 0.00 C ATOM 1280 CG ASP A 85 -21.157 3.875 -4.521 1.00 0.00 C ATOM 1281 OD1 ASP A 85 -20.997 3.090 -3.564 1.00 0.00 O ATOM 1282 OD2 ASP A 85 -20.686 5.032 -4.544 1.00 0.00 O ATOM 0 H ASP A 85 -20.544 1.476 -5.016 1.00 0.00 H new ATOM 0 HA ASP A 85 -21.811 2.193 -7.484 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -22.380 4.272 -6.232 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -22.814 2.814 -5.363 1.00 0.00 H new ATOM 1287 N GLY A 86 -18.893 3.517 -6.748 1.00 0.00 N ATOM 1288 CA GLY A 86 -17.797 4.320 -7.291 1.00 0.00 C ATOM 1289 C GLY A 86 -17.063 5.157 -6.246 1.00 0.00 C ATOM 1290 O GLY A 86 -16.023 5.743 -6.553 1.00 0.00 O ATOM 0 H GLY A 86 -18.673 3.035 -5.877 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -17.082 3.657 -7.779 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -18.193 4.983 -8.060 1.00 0.00 H new ATOM 1294 N THR A 87 -17.588 5.213 -5.009 1.00 0.00 N ATOM 1295 CA THR A 87 -16.954 5.981 -3.929 1.00 0.00 C ATOM 1296 C THR A 87 -15.567 5.421 -3.613 1.00 0.00 C ATOM 1297 O THR A 87 -15.452 4.317 -3.084 1.00 0.00 O ATOM 1298 CB THR A 87 -17.833 5.952 -2.670 1.00 0.00 C ATOM 1299 OG1 THR A 87 -19.149 6.379 -2.969 1.00 0.00 O ATOM 1300 CG2 THR A 87 -17.315 6.823 -1.543 1.00 0.00 C ATOM 0 H THR A 87 -18.447 4.736 -4.735 1.00 0.00 H new ATOM 0 HA THR A 87 -16.844 7.014 -4.260 1.00 0.00 H new ATOM 0 HB THR A 87 -17.815 4.914 -2.337 1.00 0.00 H new ATOM 0 HG1 THR A 87 -19.685 5.611 -3.257 1.00 0.00 H new ATOM 0 HG21 THR A 87 -17.988 6.751 -0.689 1.00 0.00 H new ATOM 0 HG22 THR A 87 -16.320 6.487 -1.251 1.00 0.00 H new ATOM 0 HG23 THR A 87 -17.264 7.859 -1.878 1.00 0.00 H new ATOM 1308 N GLN A 88 -14.520 6.183 -3.953 1.00 0.00 N ATOM 1309 CA GLN A 88 -13.142 5.752 -3.714 1.00 0.00 C ATOM 1310 C GLN A 88 -12.530 6.455 -2.504 1.00 0.00 C ATOM 1311 O GLN A 88 -12.628 7.675 -2.365 1.00 0.00 O ATOM 1312 CB GLN A 88 -12.269 6.031 -4.935 1.00 0.00 C ATOM 1313 CG GLN A 88 -12.593 5.159 -6.134 1.00 0.00 C ATOM 1314 CD GLN A 88 -11.850 5.587 -7.387 1.00 0.00 C ATOM 1315 OE1 GLN A 88 -12.460 5.837 -8.426 1.00 0.00 O ATOM 1316 NE2 GLN A 88 -10.524 5.675 -7.299 1.00 0.00 N ATOM 0 H GLN A 88 -14.603 7.099 -4.394 1.00 0.00 H new ATOM 0 HA GLN A 88 -13.177 4.680 -3.519 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -12.381 7.078 -5.218 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -11.224 5.885 -4.663 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -12.342 4.124 -5.904 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -13.666 5.193 -6.323 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -10.056 5.459 -6.419 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.977 5.958 -8.112 1.00 0.00 H new ATOM 1325 N SER A 89 -11.866 5.672 -1.653 1.00 0.00 N ATOM 1326 CA SER A 89 -11.185 6.185 -0.467 1.00 0.00 C ATOM 1327 C SER A 89 -9.778 5.605 -0.442 1.00 0.00 C ATOM 1328 O SER A 89 -9.618 4.388 -0.351 1.00 0.00 O ATOM 1329 CB SER A 89 -11.941 5.794 0.804 1.00 0.00 C ATOM 1330 OG SER A 89 -11.511 6.567 1.912 1.00 0.00 O ATOM 0 H SER A 89 -11.786 4.662 -1.768 1.00 0.00 H new ATOM 0 HA SER A 89 -11.145 7.274 -0.506 1.00 0.00 H new ATOM 0 HB2 SER A 89 -13.011 5.935 0.652 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.785 4.736 1.013 1.00 0.00 H new ATOM 0 HG SER A 89 -12.011 6.299 2.711 1.00 0.00 H new ATOM 1336 N GLU A 90 -8.761 6.466 -0.575 1.00 0.00 N ATOM 1337 CA GLU A 90 -7.366 6.007 -0.615 1.00 0.00 C ATOM 1338 C GLU A 90 -6.562 6.437 0.618 1.00 0.00 C ATOM 1339 O GLU A 90 -7.095 7.053 1.541 1.00 0.00 O ATOM 1340 CB GLU A 90 -6.690 6.519 -1.899 1.00 0.00 C ATOM 1341 CG GLU A 90 -6.535 8.034 -1.967 1.00 0.00 C ATOM 1342 CD GLU A 90 -6.433 8.550 -3.389 1.00 0.00 C ATOM 1343 OE1 GLU A 90 -7.488 8.711 -4.040 1.00 0.00 O ATOM 1344 OE2 GLU A 90 -5.299 8.796 -3.851 1.00 0.00 O ATOM 0 H GLU A 90 -8.876 7.476 -0.656 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.383 4.917 -0.611 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.705 6.061 -1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.271 6.186 -2.759 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.386 8.504 -1.475 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.644 8.329 -1.413 1.00 0.00 H new ATOM 1351 N ALA A 91 -5.265 6.100 0.606 1.00 0.00 N ATOM 1352 CA ALA A 91 -4.355 6.434 1.693 1.00 0.00 C ATOM 1353 C ALA A 91 -2.926 6.561 1.169 1.00 0.00 C ATOM 1354 O ALA A 91 -2.660 6.245 0.006 1.00 0.00 O ATOM 1355 CB ALA A 91 -4.424 5.370 2.781 1.00 0.00 C ATOM 0 H ALA A 91 -4.825 5.589 -0.159 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.656 7.391 2.118 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.740 5.630 3.588 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.440 5.314 3.171 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.142 4.404 2.363 1.00 0.00 H new ATOM 1361 N THR A 92 -2.006 7.010 2.028 1.00 0.00 N ATOM 1362 CA THR A 92 -0.601 7.159 1.645 1.00 0.00 C ATOM 1363 C THR A 92 0.310 6.840 2.822 1.00 0.00 C ATOM 1364 O THR A 92 -0.079 7.004 3.981 1.00 0.00 O ATOM 1365 CB THR A 92 -0.305 8.571 1.117 1.00 0.00 C ATOM 1366 OG1 THR A 92 -1.117 9.538 1.764 1.00 0.00 O ATOM 1367 CG2 THR A 92 -0.524 8.702 -0.375 1.00 0.00 C ATOM 0 H THR A 92 -2.210 7.276 2.991 1.00 0.00 H new ATOM 0 HA THR A 92 -0.405 6.451 0.840 1.00 0.00 H new ATOM 0 HB THR A 92 0.749 8.746 1.333 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.909 10.429 1.412 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.299 9.722 -0.688 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.131 8.008 -0.901 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.563 8.471 -0.612 1.00 0.00 H new ATOM 1375 N VAL A 93 1.524 6.381 2.510 1.00 0.00 N ATOM 1376 CA VAL A 93 2.504 6.031 3.543 1.00 0.00 C ATOM 1377 C VAL A 93 3.894 6.575 3.193 1.00 0.00 C ATOM 1378 O VAL A 93 4.480 6.189 2.181 1.00 0.00 O ATOM 1379 CB VAL A 93 2.556 4.492 3.758 1.00 0.00 C ATOM 1380 CG1 VAL A 93 2.922 3.765 2.470 1.00 0.00 C ATOM 1381 CG2 VAL A 93 3.507 4.115 4.895 1.00 0.00 C ATOM 0 H VAL A 93 1.852 6.243 1.554 1.00 0.00 H new ATOM 0 HA VAL A 93 2.185 6.496 4.476 1.00 0.00 H new ATOM 0 HB VAL A 93 1.556 4.171 4.048 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.950 2.691 2.654 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.177 3.983 1.705 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.901 4.100 2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.518 3.032 5.016 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.512 4.464 4.659 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.170 4.581 5.821 1.00 0.00 H new ATOM 1391 N ASN A 94 4.412 7.468 4.047 1.00 0.00 N ATOM 1392 CA ASN A 94 5.734 8.063 3.841 1.00 0.00 C ATOM 1393 C ASN A 94 6.826 7.022 4.104 1.00 0.00 C ATOM 1394 O ASN A 94 7.276 6.860 5.241 1.00 0.00 O ATOM 1395 CB ASN A 94 5.911 9.299 4.756 1.00 0.00 C ATOM 1396 CG ASN A 94 7.320 9.898 4.753 1.00 0.00 C ATOM 1397 OD1 ASN A 94 7.805 10.355 5.787 1.00 0.00 O ATOM 1398 ND2 ASN A 94 7.984 9.900 3.597 1.00 0.00 N ATOM 0 H ASN A 94 3.933 7.793 4.887 1.00 0.00 H new ATOM 0 HA ASN A 94 5.820 8.393 2.806 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.203 10.068 4.447 1.00 0.00 H new ATOM 0 HB3 ASN A 94 5.652 9.019 5.777 1.00 0.00 H new ATOM 0 HD21 ASN A 94 8.926 10.289 3.550 1.00 0.00 H new ATOM 0 HD22 ASN A 94 7.550 9.512 2.759 1.00 0.00 H new ATOM 1405 N VAL A 95 7.247 6.327 3.044 1.00 0.00 N ATOM 1406 CA VAL A 95 8.288 5.302 3.153 1.00 0.00 C ATOM 1407 C VAL A 95 9.658 5.893 2.817 1.00 0.00 C ATOM 1408 O VAL A 95 9.914 6.268 1.671 1.00 0.00 O ATOM 1409 CB VAL A 95 8.014 4.092 2.222 1.00 0.00 C ATOM 1410 CG1 VAL A 95 8.958 2.941 2.547 1.00 0.00 C ATOM 1411 CG2 VAL A 95 6.561 3.633 2.325 1.00 0.00 C ATOM 0 H VAL A 95 6.883 6.456 2.100 1.00 0.00 H new ATOM 0 HA VAL A 95 8.278 4.949 4.184 1.00 0.00 H new ATOM 0 HB VAL A 95 8.195 4.413 1.196 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.750 2.102 1.883 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.989 3.266 2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 95 8.811 2.631 3.581 1.00 0.00 H new ATOM 0 HG21 VAL A 95 6.400 2.784 1.661 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.345 3.337 3.352 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.900 4.450 2.036 1.00 0.00 H new ATOM 1421 N LYS A 96 10.533 5.972 3.826 1.00 0.00 N ATOM 1422 CA LYS A 96 11.878 6.517 3.646 1.00 0.00 C ATOM 1423 C LYS A 96 12.905 5.395 3.478 1.00 0.00 C ATOM 1424 O LYS A 96 12.702 4.276 3.961 1.00 0.00 O ATOM 1425 CB LYS A 96 12.257 7.407 4.849 1.00 0.00 C ATOM 1426 CG LYS A 96 12.712 8.818 4.459 1.00 0.00 C ATOM 1427 CD LYS A 96 11.695 9.887 4.851 1.00 0.00 C ATOM 1428 CE LYS A 96 11.809 10.267 6.323 1.00 0.00 C ATOM 1429 NZ LYS A 96 11.429 11.688 6.562 1.00 0.00 N ATOM 0 H LYS A 96 10.330 5.664 4.777 1.00 0.00 H new ATOM 0 HA LYS A 96 11.882 7.122 2.740 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.398 7.484 5.516 1.00 0.00 H new ATOM 0 HB3 LYS A 96 13.055 6.921 5.411 1.00 0.00 H new ATOM 0 HG2 LYS A 96 13.666 9.035 4.939 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.880 8.858 3.383 1.00 0.00 H new ATOM 0 HD2 LYS A 96 11.844 10.773 4.235 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.688 9.523 4.647 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.168 9.615 6.917 1.00 0.00 H new ATOM 0 HE3 LYS A 96 12.832 10.103 6.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.520 11.906 7.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.057 12.312 6.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.445 11.839 6.263 1.00 0.00 H new ATOM 1443 N ILE A 97 14.023 5.721 2.823 1.00 0.00 N ATOM 1444 CA ILE A 97 15.112 4.766 2.621 1.00 0.00 C ATOM 1445 C ILE A 97 16.459 5.480 2.701 1.00 0.00 C ATOM 1446 O ILE A 97 16.634 6.565 2.143 1.00 0.00 O ATOM 1447 CB ILE A 97 15.005 3.964 1.296 1.00 0.00 C ATOM 1448 CG1 ILE A 97 13.578 3.382 1.152 1.00 0.00 C ATOM 1449 CG2 ILE A 97 16.067 2.853 1.282 1.00 0.00 C ATOM 1450 CD1 ILE A 97 13.390 2.414 -0.002 1.00 0.00 C ATOM 0 H ILE A 97 14.196 6.643 2.423 1.00 0.00 H new ATOM 0 HA ILE A 97 15.029 4.034 3.424 1.00 0.00 H new ATOM 0 HB ILE A 97 15.188 4.622 0.447 1.00 0.00 H new ATOM 0 HG12 ILE A 97 13.315 2.873 2.079 1.00 0.00 H new ATOM 0 HG13 ILE A 97 12.876 4.207 1.031 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.992 2.290 0.352 1.00 0.00 H new ATOM 0 HG22 ILE A 97 17.059 3.297 1.358 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.904 2.183 2.126 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.358 2.063 -0.018 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.616 2.919 -0.941 1.00 0.00 H new ATOM 0 HD13 ILE A 97 14.061 1.564 0.123 1.00 0.00 H new ATOM 1462 N PHE A 98 17.399 4.862 3.419 1.00 0.00 N ATOM 1463 CA PHE A 98 18.741 5.426 3.613 1.00 0.00 C ATOM 1464 C PHE A 98 19.805 4.367 3.330 1.00 0.00 C ATOM 1465 O PHE A 98 19.754 3.265 3.883 1.00 0.00 O ATOM 1466 CB PHE A 98 18.910 6.004 5.046 1.00 0.00 C ATOM 1467 CG PHE A 98 17.905 5.499 6.055 1.00 0.00 C ATOM 1468 CD1 PHE A 98 16.659 6.097 6.159 1.00 0.00 C ATOM 1469 CD2 PHE A 98 18.197 4.419 6.872 1.00 0.00 C ATOM 1470 CE1 PHE A 98 15.725 5.628 7.057 1.00 0.00 C ATOM 1471 CE2 PHE A 98 17.265 3.948 7.777 1.00 0.00 C ATOM 1472 CZ PHE A 98 16.027 4.555 7.867 1.00 0.00 C ATOM 0 H PHE A 98 17.256 3.963 3.880 1.00 0.00 H new ATOM 0 HA PHE A 98 18.868 6.248 2.909 1.00 0.00 H new ATOM 0 HB2 PHE A 98 19.912 5.767 5.402 1.00 0.00 H new ATOM 0 HB3 PHE A 98 18.838 7.090 4.995 1.00 0.00 H new ATOM 0 HD1 PHE A 98 16.417 6.940 5.529 1.00 0.00 H new ATOM 0 HD2 PHE A 98 19.163 3.940 6.801 1.00 0.00 H new ATOM 0 HE1 PHE A 98 14.757 6.101 7.126 1.00 0.00 H new ATOM 0 HE2 PHE A 98 17.504 3.108 8.412 1.00 0.00 H new ATOM 0 HZ PHE A 98 15.296 4.188 8.572 1.00 0.00 H new ATOM 1482 N GLN A 99 20.760 4.711 2.462 1.00 0.00 N ATOM 1483 CA GLN A 99 21.838 3.795 2.098 1.00 0.00 C ATOM 1484 C GLN A 99 22.943 3.809 3.148 1.00 0.00 C ATOM 1485 O GLN A 99 23.213 4.892 3.707 1.00 0.00 O ATOM 1486 CB GLN A 99 22.414 4.167 0.729 1.00 0.00 C ATOM 1487 CG GLN A 99 22.882 5.612 0.634 1.00 0.00 C ATOM 1488 CD GLN A 99 23.785 5.856 -0.563 1.00 0.00 C ATOM 1489 OE1 GLN A 99 24.924 6.297 -0.412 1.00 0.00 O ATOM 1490 NE2 GLN A 99 23.282 5.570 -1.763 1.00 0.00 N ATOM 1491 OXT GLN A 99 23.526 2.735 3.406 1.00 0.00 O ATOM 0 H GLN A 99 20.806 5.619 1.999 1.00 0.00 H new ATOM 0 HA GLN A 99 21.422 2.789 2.048 1.00 0.00 H new ATOM 0 HB2 GLN A 99 23.253 3.507 0.506 1.00 0.00 H new ATOM 0 HB3 GLN A 99 21.657 3.989 -0.034 1.00 0.00 H new ATOM 0 HG2 GLN A 99 22.014 6.268 0.569 1.00 0.00 H new ATOM 0 HG3 GLN A 99 23.415 5.878 1.547 1.00 0.00 H new ATOM 0 HE21 GLN A 99 22.333 5.206 -1.844 1.00 0.00 H new ATOM 0 HE22 GLN A 99 23.846 5.715 -2.600 1.00 0.00 H new TER 1500 GLN A 99