USER MOD reduce.3.24.130724 H: found=0, std=0, add=998, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 994 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 39 ASN : amide:sc= -4.02! C(o=-3.3!,f=-4.9!) USER MOD Set 1.2: A 42 GLN : amide:sc= 0.677 K(o=-3.3,f=-4.9) USER MOD Single : A 1 MET CE :methyl 153:sc= 0 (180deg=-1.14) USER MOD Single : A 1 MET N :NH3+ -165:sc= 0.781 (180deg=-0.0546) USER MOD Single : A 4 ASN :FLIP amide:sc= -6! C(o=-8.1!,f=-6!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot 180:sc= 0.0858 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN :FLIP amide:sc= -0.259 F(o=-2.1,f=-0.26) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot -8:sc= 1.23 USER MOD Single : A 33 THR OG1 : rot 15:sc= 0.828 USER MOD Single : A 34 SER OG : rot -170:sc= -0.0229 USER MOD Single : A 37 CYS SG : rot 150:sc= -4.27! USER MOD Single : A 44 GLN :FLIP amide:sc= -0.237 F(o=-2.5!,f=-0.24) USER MOD Single : A 47 MET CE :methyl 141:sc= -0.952 (180deg=-1.58) USER MOD Single : A 53 GLN : amide:sc= -3.64! C(o=-3.6!,f=-3.9!) USER MOD Single : A 54 TYR OH : rot -100:sc= 0.127 USER MOD Single : A 60 ASN : amide:sc= -0.826 K(o=-0.83,f=-3) USER MOD Single : A 61 HIS :FLIP no HD1:sc= -0.399 F(o=-2.1!,f=-0.4) USER MOD Single : A 69 LYS NZ :NH3+ -142:sc= 2.13 (180deg=0.836) USER MOD Single : A 71 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00203) USER MOD Single : A 74 SER OG : rot -1:sc= 0.924 USER MOD Single : A 79 GLN :FLIP amide:sc= -7.3! C(o=-9.2!,f=-7.3!) USER MOD Single : A 81 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.12) USER MOD Single : A 83 ASN : amide:sc= -1.25 K(o=-1.3,f=-2.7!) USER MOD Single : A 86 GLN :FLIP amide:sc= -0.0164 F(o=-1.1,f=-0.016) USER MOD Single : A 88 TYR OH : rot 71:sc= 0.131 USER MOD Single : A 91 THR OG1 : rot 76:sc= 0.219 USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 165:sc= 0.774 (180deg=0.504) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot -79:sc= 1.27 USER MOD Single : A 118 GLN : amide:sc= -1.37 K(o=-1.4,f=-3.3!) USER MOD Single : A 119 HIS : no HD1:sc= -0.213 X(o=-0.21,f=-0.0033) USER MOD Single : A 122 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000917) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= 0 X(o=0,f=-4.1e-05) USER MOD Single : A 129 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 134 SER OG : rot 180:sc= -0.0053 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.191 15.289 -11.753 1.00 0.00 N ATOM 2 CA MET A 1 -5.133 14.343 -12.131 1.00 0.00 C ATOM 3 C MET A 1 -5.707 13.057 -12.707 1.00 0.00 C ATOM 4 O MET A 1 -4.954 12.206 -13.189 1.00 0.00 O ATOM 5 CB MET A 1 -4.184 14.030 -10.948 1.00 0.00 C ATOM 6 CG MET A 1 -4.822 13.358 -9.729 1.00 0.00 C ATOM 7 SD MET A 1 -6.129 14.341 -8.966 1.00 0.00 S ATOM 8 CE MET A 1 -6.520 13.344 -7.536 1.00 0.00 C ATOM 0 H1 MET A 1 -5.778 16.232 -11.608 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.902 15.336 -12.511 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.644 14.970 -10.873 1.00 0.00 H new ATOM 0 HA MET A 1 -4.546 14.831 -12.909 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.382 13.388 -11.313 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.723 14.963 -10.623 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.232 12.394 -10.029 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.048 13.159 -8.988 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.917 13.981 -6.746 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.265 12.596 -7.807 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.617 12.846 -7.182 1.00 0.00 H new ATOM 20 N GLY A 2 -7.030 12.897 -12.652 1.00 0.00 N ATOM 21 CA GLY A 2 -7.645 11.717 -13.229 1.00 0.00 C ATOM 22 C GLY A 2 -7.453 10.491 -12.371 1.00 0.00 C ATOM 23 O GLY A 2 -7.151 9.407 -12.869 1.00 0.00 O ATOM 0 H GLY A 2 -7.678 13.557 -12.222 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -8.711 11.897 -13.367 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -7.221 11.536 -14.217 1.00 0.00 H new ATOM 27 N GLU A 3 -7.613 10.665 -11.084 1.00 0.00 N ATOM 28 CA GLU A 3 -7.479 9.589 -10.141 1.00 0.00 C ATOM 29 C GLU A 3 -8.744 9.448 -9.320 1.00 0.00 C ATOM 30 O GLU A 3 -9.796 9.960 -9.706 1.00 0.00 O ATOM 31 CB GLU A 3 -6.244 9.755 -9.255 1.00 0.00 C ATOM 32 CG GLU A 3 -4.943 9.557 -9.993 1.00 0.00 C ATOM 33 CD GLU A 3 -3.754 9.653 -9.093 1.00 0.00 C ATOM 34 OE1 GLU A 3 -3.418 8.655 -8.419 1.00 0.00 O ATOM 35 OE2 GLU A 3 -3.124 10.720 -9.046 1.00 0.00 O ATOM 0 H GLU A 3 -7.841 11.564 -10.660 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.333 8.666 -10.703 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.254 10.752 -8.814 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.298 9.042 -8.432 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.949 8.581 -10.478 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -4.859 10.305 -10.782 1.00 0.00 H new ATOM 42 N ASN A 4 -8.635 8.755 -8.205 1.00 0.00 N ATOM 43 CA ASN A 4 -9.773 8.383 -7.375 1.00 0.00 C ATOM 44 C ASN A 4 -9.221 7.892 -6.041 1.00 0.00 C ATOM 45 O ASN A 4 -9.618 6.862 -5.509 1.00 0.00 O ATOM 46 CB ASN A 4 -10.640 7.279 -8.096 1.00 0.00 C ATOM 47 CG ASN A 4 -9.899 5.969 -8.443 1.00 0.00 C ATOM 48 OD1 ASN A 4 -8.621 6.059 -8.742 1.00 0.00 O flip ATOM 49 ND2 ASN A 4 -10.493 4.887 -8.502 1.00 0.00 N flip ATOM 0 H ASN A 4 -7.741 8.427 -7.840 1.00 0.00 H new ATOM 0 HA ASN A 4 -10.433 9.234 -7.206 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -11.490 7.036 -7.458 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -11.042 7.702 -9.016 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -11.484 4.836 -8.267 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -9.992 4.045 -8.786 1.00 0.00 H new ATOM 56 N LYS A 5 -8.288 8.683 -5.513 1.00 0.00 N ATOM 57 CA LYS A 5 -7.576 8.383 -4.277 1.00 0.00 C ATOM 58 C LYS A 5 -8.516 8.408 -3.092 1.00 0.00 C ATOM 59 O LYS A 5 -8.878 9.475 -2.586 1.00 0.00 O ATOM 60 CB LYS A 5 -6.438 9.384 -4.039 1.00 0.00 C ATOM 61 CG LYS A 5 -5.329 9.353 -5.070 1.00 0.00 C ATOM 62 CD LYS A 5 -4.272 10.406 -4.763 1.00 0.00 C ATOM 63 CE LYS A 5 -3.118 10.318 -5.735 1.00 0.00 C ATOM 64 NZ LYS A 5 -2.095 11.346 -5.501 1.00 0.00 N ATOM 0 H LYS A 5 -8.003 9.564 -5.941 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.155 7.383 -4.380 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.859 10.389 -4.011 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.006 9.192 -3.057 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.870 8.365 -5.086 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.745 9.528 -6.062 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.718 11.399 -4.813 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.905 10.272 -3.745 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.659 9.332 -5.659 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.498 10.415 -6.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.329 11.238 -6.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.522 12.289 -5.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.709 11.240 -4.541 1.00 0.00 H new ATOM 78 N VAL A 6 -8.955 7.260 -2.703 1.00 0.00 N ATOM 79 CA VAL A 6 -9.817 7.136 -1.577 1.00 0.00 C ATOM 80 C VAL A 6 -9.029 6.695 -0.335 1.00 0.00 C ATOM 81 O VAL A 6 -8.285 5.722 -0.369 1.00 0.00 O ATOM 82 CB VAL A 6 -11.010 6.166 -1.894 1.00 0.00 C ATOM 83 CG1 VAL A 6 -10.556 4.746 -2.205 1.00 0.00 C ATOM 84 CG2 VAL A 6 -12.072 6.186 -0.807 1.00 0.00 C ATOM 0 H VAL A 6 -8.725 6.377 -3.159 1.00 0.00 H new ATOM 0 HA VAL A 6 -10.246 8.114 -1.357 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.469 6.551 -2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -11.426 4.124 -2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -9.898 4.756 -3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -10.018 4.340 -1.348 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.876 5.499 -1.071 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -11.629 5.878 0.140 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -12.474 7.195 -0.709 1.00 0.00 H new ATOM 94 N CYS A 7 -9.144 7.473 0.707 1.00 0.00 N ATOM 95 CA CYS A 7 -8.590 7.172 2.014 1.00 0.00 C ATOM 96 C CYS A 7 -9.682 6.452 2.782 1.00 0.00 C ATOM 97 O CYS A 7 -10.806 6.374 2.266 1.00 0.00 O ATOM 98 CB CYS A 7 -8.151 8.466 2.718 1.00 0.00 C ATOM 99 SG CYS A 7 -9.434 9.727 2.854 1.00 0.00 S ATOM 0 H CYS A 7 -9.640 8.364 0.676 1.00 0.00 H new ATOM 0 HA CYS A 7 -7.701 6.546 1.945 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.799 8.217 3.719 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.303 8.887 2.178 1.00 0.00 H new ATOM 0 HG CYS A 7 -8.955 10.770 3.464 1.00 0.00 H new ATOM 105 N GLY A 8 -9.360 5.879 3.948 1.00 0.00 N ATOM 106 CA GLY A 8 -10.315 5.078 4.694 1.00 0.00 C ATOM 107 C GLY A 8 -11.660 5.713 4.826 1.00 0.00 C ATOM 108 O GLY A 8 -11.791 6.849 5.280 1.00 0.00 O ATOM 0 H GLY A 8 -8.443 5.960 4.388 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.426 4.111 4.203 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -9.915 4.886 5.689 1.00 0.00 H new ATOM 112 N LEU A 9 -12.649 4.981 4.445 1.00 0.00 N ATOM 113 CA LEU A 9 -13.960 5.493 4.362 1.00 0.00 C ATOM 114 C LEU A 9 -14.899 4.394 4.799 1.00 0.00 C ATOM 115 O LEU A 9 -14.510 3.224 4.796 1.00 0.00 O ATOM 116 CB LEU A 9 -14.204 5.876 2.908 1.00 0.00 C ATOM 117 CG LEU A 9 -15.312 6.866 2.612 1.00 0.00 C ATOM 118 CD1 LEU A 9 -14.996 8.220 3.225 1.00 0.00 C ATOM 119 CD2 LEU A 9 -15.449 7.004 1.131 1.00 0.00 C ATOM 0 H LEU A 9 -12.562 4.000 4.181 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.114 6.368 4.994 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -13.275 6.284 2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -14.415 4.962 2.352 1.00 0.00 H new ATOM 0 HG LEU A 9 -16.245 6.503 3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -15.803 8.918 3.002 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.895 8.116 4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.063 8.599 2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -16.244 7.714 0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.510 7.364 0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -15.693 6.035 0.696 1.00 0.00 H new ATOM 131 N THR A 10 -16.107 4.739 5.165 1.00 0.00 N ATOM 132 CA THR A 10 -17.034 3.731 5.653 1.00 0.00 C ATOM 133 C THR A 10 -18.403 3.921 4.999 1.00 0.00 C ATOM 134 O THR A 10 -19.225 3.003 4.938 1.00 0.00 O ATOM 135 CB THR A 10 -17.111 3.732 7.231 1.00 0.00 C ATOM 136 OG1 THR A 10 -17.951 2.674 7.729 1.00 0.00 O ATOM 137 CG2 THR A 10 -17.600 5.070 7.771 1.00 0.00 C ATOM 0 H THR A 10 -16.474 5.690 5.138 1.00 0.00 H new ATOM 0 HA THR A 10 -16.665 2.745 5.369 1.00 0.00 H new ATOM 0 HB THR A 10 -16.094 3.562 7.586 1.00 0.00 H new ATOM 0 HG1 THR A 10 -17.972 2.707 8.708 1.00 0.00 H new ATOM 0 HG21 THR A 10 -17.639 5.031 8.860 1.00 0.00 H new ATOM 0 HG22 THR A 10 -16.916 5.860 7.461 1.00 0.00 H new ATOM 0 HG23 THR A 10 -18.596 5.278 7.379 1.00 0.00 H new ATOM 145 N ARG A 11 -18.618 5.109 4.466 1.00 0.00 N ATOM 146 CA ARG A 11 -19.821 5.413 3.757 1.00 0.00 C ATOM 147 C ARG A 11 -19.765 4.816 2.363 1.00 0.00 C ATOM 148 O ARG A 11 -19.036 5.296 1.504 1.00 0.00 O ATOM 149 CB ARG A 11 -20.032 6.916 3.711 1.00 0.00 C ATOM 150 CG ARG A 11 -20.470 7.507 5.034 1.00 0.00 C ATOM 151 CD ARG A 11 -20.507 9.017 4.981 1.00 0.00 C ATOM 152 NE ARG A 11 -21.350 9.511 3.894 1.00 0.00 N ATOM 153 CZ ARG A 11 -21.018 10.516 3.076 1.00 0.00 C ATOM 154 NH1 ARG A 11 -19.865 11.166 3.245 1.00 0.00 N ATOM 155 NH2 ARG A 11 -21.833 10.863 2.091 1.00 0.00 N ATOM 0 H ARG A 11 -17.956 5.883 4.519 1.00 0.00 H new ATOM 0 HA ARG A 11 -20.671 4.972 4.277 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.105 7.395 3.398 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -20.781 7.146 2.954 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -21.458 7.127 5.294 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -19.787 7.186 5.821 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -20.878 9.403 5.930 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -19.494 9.399 4.855 1.00 0.00 H new ATOM 0 HE ARG A 11 -22.253 9.059 3.749 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -19.234 10.897 4.000 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -19.615 11.932 2.619 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -22.712 10.364 1.957 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -21.581 11.629 1.467 1.00 0.00 H new ATOM 169 N GLY A 12 -20.516 3.748 2.185 1.00 0.00 N ATOM 170 CA GLY A 12 -20.606 3.002 0.947 1.00 0.00 C ATOM 171 C GLY A 12 -20.829 3.854 -0.272 1.00 0.00 C ATOM 172 O GLY A 12 -20.164 3.693 -1.286 1.00 0.00 O ATOM 0 H GLY A 12 -21.101 3.362 2.926 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -19.688 2.430 0.813 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -21.421 2.283 1.028 1.00 0.00 H new ATOM 176 N GLN A 13 -21.733 4.787 -0.146 1.00 0.00 N ATOM 177 CA GLN A 13 -22.148 5.640 -1.239 1.00 0.00 C ATOM 178 C GLN A 13 -21.108 6.702 -1.518 1.00 0.00 C ATOM 179 O GLN A 13 -21.017 7.233 -2.623 1.00 0.00 O ATOM 180 CB GLN A 13 -23.529 6.269 -0.959 1.00 0.00 C ATOM 181 CG GLN A 13 -24.744 5.328 -1.125 1.00 0.00 C ATOM 182 CD GLN A 13 -24.768 4.053 -0.260 1.00 0.00 C ATOM 183 OE1 GLN A 13 -24.201 4.077 0.929 1.00 0.00 O flip ATOM 184 NE2 GLN A 13 -25.315 3.038 -0.680 1.00 0.00 N flip ATOM 0 H GLN A 13 -22.213 4.983 0.732 1.00 0.00 H new ATOM 0 HA GLN A 13 -22.242 5.022 -2.132 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -23.531 6.657 0.060 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -23.660 7.122 -1.625 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -25.647 5.900 -0.910 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -24.799 5.028 -2.171 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -25.749 3.037 -1.603 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -25.336 2.195 -0.106 1.00 0.00 H new ATOM 193 N ASP A 14 -20.298 6.977 -0.524 1.00 0.00 N ATOM 194 CA ASP A 14 -19.238 7.960 -0.651 1.00 0.00 C ATOM 195 C ASP A 14 -18.015 7.271 -1.251 1.00 0.00 C ATOM 196 O ASP A 14 -17.227 7.862 -1.982 1.00 0.00 O ATOM 197 CB ASP A 14 -18.912 8.559 0.730 1.00 0.00 C ATOM 198 CG ASP A 14 -18.091 9.847 0.632 1.00 0.00 C ATOM 199 OD1 ASP A 14 -18.639 10.879 0.183 1.00 0.00 O ATOM 200 OD2 ASP A 14 -16.904 9.857 0.989 1.00 0.00 O ATOM 0 H ASP A 14 -20.350 6.531 0.392 1.00 0.00 H new ATOM 0 HA ASP A 14 -19.549 8.776 -1.303 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -19.841 8.764 1.262 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -18.362 7.826 1.320 1.00 0.00 H new ATOM 205 N ALA A 15 -17.903 5.993 -0.946 1.00 0.00 N ATOM 206 CA ALA A 15 -16.833 5.142 -1.428 1.00 0.00 C ATOM 207 C ALA A 15 -17.026 4.833 -2.896 1.00 0.00 C ATOM 208 O ALA A 15 -16.098 4.964 -3.704 1.00 0.00 O ATOM 209 CB ALA A 15 -16.789 3.851 -0.608 1.00 0.00 C ATOM 0 H ALA A 15 -18.567 5.507 -0.344 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.884 5.665 -1.312 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.983 3.215 -0.974 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.613 4.092 0.440 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.739 3.326 -0.705 1.00 0.00 H new ATOM 215 N LYS A 16 -18.244 4.454 -3.250 1.00 0.00 N ATOM 216 CA LYS A 16 -18.565 4.118 -4.621 1.00 0.00 C ATOM 217 C LYS A 16 -18.441 5.300 -5.556 1.00 0.00 C ATOM 218 O LYS A 16 -18.272 5.121 -6.736 1.00 0.00 O ATOM 219 CB LYS A 16 -19.886 3.338 -4.775 1.00 0.00 C ATOM 220 CG LYS A 16 -21.116 4.013 -4.237 1.00 0.00 C ATOM 221 CD LYS A 16 -22.339 3.093 -4.314 1.00 0.00 C ATOM 222 CE LYS A 16 -22.191 1.843 -3.429 1.00 0.00 C ATOM 223 NZ LYS A 16 -23.371 0.947 -3.510 1.00 0.00 N ATOM 0 H LYS A 16 -19.027 4.372 -2.601 1.00 0.00 H new ATOM 0 HA LYS A 16 -17.797 3.413 -4.939 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -20.042 3.133 -5.834 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -19.777 2.375 -4.276 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -20.947 4.309 -3.202 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -21.309 4.925 -4.802 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -23.227 3.647 -4.009 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -22.494 2.786 -5.348 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -21.299 1.293 -3.729 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -22.042 2.150 -2.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -23.222 0.121 -2.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -24.219 1.461 -3.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -23.500 0.630 -4.492 1.00 0.00 H new ATOM 237 N ALA A 17 -18.525 6.500 -5.016 1.00 0.00 N ATOM 238 CA ALA A 17 -18.310 7.712 -5.797 1.00 0.00 C ATOM 239 C ALA A 17 -16.891 7.717 -6.413 1.00 0.00 C ATOM 240 O ALA A 17 -16.706 8.109 -7.558 1.00 0.00 O ATOM 241 CB ALA A 17 -18.523 8.944 -4.928 1.00 0.00 C ATOM 0 H ALA A 17 -18.742 6.667 -4.033 1.00 0.00 H new ATOM 0 HA ALA A 17 -19.034 7.734 -6.611 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.359 9.842 -5.524 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -19.542 8.945 -4.542 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.820 8.928 -4.095 1.00 0.00 H new ATOM 247 N ALA A 18 -15.909 7.219 -5.658 1.00 0.00 N ATOM 248 CA ALA A 18 -14.524 7.153 -6.129 1.00 0.00 C ATOM 249 C ALA A 18 -14.376 6.050 -7.184 1.00 0.00 C ATOM 250 O ALA A 18 -13.663 6.197 -8.176 1.00 0.00 O ATOM 251 CB ALA A 18 -13.591 6.908 -4.958 1.00 0.00 C ATOM 0 H ALA A 18 -16.048 6.855 -4.715 1.00 0.00 H new ATOM 0 HA ALA A 18 -14.257 8.104 -6.590 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -12.563 6.860 -5.316 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.688 7.722 -4.239 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.852 5.966 -4.476 1.00 0.00 H new ATOM 257 N TYR A 19 -15.069 4.953 -6.975 1.00 0.00 N ATOM 258 CA TYR A 19 -15.097 3.871 -7.939 1.00 0.00 C ATOM 259 C TYR A 19 -15.830 4.327 -9.196 1.00 0.00 C ATOM 260 O TYR A 19 -15.464 3.968 -10.303 1.00 0.00 O ATOM 261 CB TYR A 19 -15.711 2.618 -7.293 1.00 0.00 C ATOM 262 CG TYR A 19 -16.877 1.988 -8.027 1.00 0.00 C ATOM 263 CD1 TYR A 19 -16.670 1.199 -9.129 1.00 0.00 C ATOM 264 CD2 TYR A 19 -18.170 2.193 -7.608 1.00 0.00 C ATOM 265 CE1 TYR A 19 -17.730 0.628 -9.809 1.00 0.00 C ATOM 266 CE2 TYR A 19 -19.236 1.636 -8.264 1.00 0.00 C ATOM 267 CZ TYR A 19 -19.018 0.851 -9.363 1.00 0.00 C ATOM 268 OH TYR A 19 -20.094 0.290 -10.024 1.00 0.00 O ATOM 0 H TYR A 19 -15.627 4.784 -6.138 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.087 3.600 -8.245 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.927 1.868 -7.188 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.040 2.878 -6.287 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.662 1.020 -9.472 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -18.350 2.809 -6.739 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -17.553 0.014 -10.680 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.242 1.816 -7.916 1.00 0.00 H new ATOM 0 HH TYR A 19 -20.925 0.549 -9.575 1.00 0.00 H new ATOM 278 N ASP A 20 -16.824 5.150 -9.005 1.00 0.00 N ATOM 279 CA ASP A 20 -17.577 5.747 -10.102 1.00 0.00 C ATOM 280 C ASP A 20 -16.678 6.648 -10.937 1.00 0.00 C ATOM 281 O ASP A 20 -16.850 6.765 -12.149 1.00 0.00 O ATOM 282 CB ASP A 20 -18.761 6.544 -9.557 1.00 0.00 C ATOM 283 CG ASP A 20 -19.559 7.228 -10.630 1.00 0.00 C ATOM 284 OD1 ASP A 20 -20.319 6.540 -11.345 1.00 0.00 O ATOM 285 OD2 ASP A 20 -19.477 8.477 -10.751 1.00 0.00 O ATOM 0 H ASP A 20 -17.146 5.435 -8.080 1.00 0.00 H new ATOM 0 HA ASP A 20 -17.954 4.947 -10.739 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -19.415 5.874 -8.998 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -18.394 7.292 -8.854 1.00 0.00 H new ATOM 290 N ALA A 21 -15.697 7.249 -10.277 1.00 0.00 N ATOM 291 CA ALA A 21 -14.746 8.138 -10.920 1.00 0.00 C ATOM 292 C ALA A 21 -13.804 7.386 -11.867 1.00 0.00 C ATOM 293 O ALA A 21 -13.232 7.990 -12.782 1.00 0.00 O ATOM 294 CB ALA A 21 -13.956 8.917 -9.882 1.00 0.00 C ATOM 0 H ALA A 21 -15.540 7.131 -9.276 1.00 0.00 H new ATOM 0 HA ALA A 21 -15.317 8.841 -11.526 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.249 9.578 -10.383 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.639 9.511 -9.275 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.412 8.222 -9.242 1.00 0.00 H new ATOM 300 N GLY A 22 -13.619 6.087 -11.654 1.00 0.00 N ATOM 301 CA GLY A 22 -12.835 5.328 -12.581 1.00 0.00 C ATOM 302 C GLY A 22 -12.598 3.906 -12.143 1.00 0.00 C ATOM 303 O GLY A 22 -12.267 3.056 -12.981 1.00 0.00 O ATOM 0 H GLY A 22 -13.996 5.562 -10.865 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.335 5.323 -13.549 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.873 5.822 -12.721 1.00 0.00 H new ATOM 307 N ALA A 23 -12.723 3.641 -10.812 1.00 0.00 N ATOM 308 CA ALA A 23 -12.495 2.295 -10.229 1.00 0.00 C ATOM 309 C ALA A 23 -11.067 1.889 -10.476 1.00 0.00 C ATOM 310 O ALA A 23 -10.717 0.710 -10.484 1.00 0.00 O ATOM 311 CB ALA A 23 -13.463 1.264 -10.818 1.00 0.00 C ATOM 0 H ALA A 23 -12.982 4.348 -10.124 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.681 2.336 -9.156 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.271 0.288 -10.371 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -14.489 1.565 -10.606 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.319 1.204 -11.897 1.00 0.00 H new ATOM 317 N ILE A 24 -10.247 2.898 -10.594 1.00 0.00 N ATOM 318 CA ILE A 24 -8.888 2.769 -11.001 1.00 0.00 C ATOM 319 C ILE A 24 -8.092 2.094 -9.920 1.00 0.00 C ATOM 320 O ILE A 24 -7.520 1.031 -10.138 1.00 0.00 O ATOM 321 CB ILE A 24 -8.292 4.165 -11.305 1.00 0.00 C ATOM 322 CG1 ILE A 24 -9.244 4.971 -12.214 1.00 0.00 C ATOM 323 CG2 ILE A 24 -6.916 4.034 -11.954 1.00 0.00 C ATOM 324 CD1 ILE A 24 -8.795 6.396 -12.454 1.00 0.00 C ATOM 0 H ILE A 24 -10.523 3.861 -10.401 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.844 2.162 -11.905 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.176 4.701 -10.363 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.334 4.461 -13.173 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.237 4.983 -11.765 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.515 5.026 -12.160 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.244 3.504 -11.279 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.005 3.478 -12.887 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -9.513 6.900 -13.101 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.732 6.923 -11.502 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.815 6.393 -12.932 1.00 0.00 H new ATOM 336 N TYR A 25 -8.080 2.717 -8.766 1.00 0.00 N ATOM 337 CA TYR A 25 -7.359 2.245 -7.606 1.00 0.00 C ATOM 338 C TYR A 25 -7.627 3.217 -6.460 1.00 0.00 C ATOM 339 O TYR A 25 -8.019 4.335 -6.701 1.00 0.00 O ATOM 340 CB TYR A 25 -5.848 2.090 -7.902 1.00 0.00 C ATOM 341 CG TYR A 25 -5.060 3.289 -7.632 1.00 0.00 C ATOM 342 CD1 TYR A 25 -4.936 4.297 -8.553 1.00 0.00 C ATOM 343 CD2 TYR A 25 -4.481 3.422 -6.416 1.00 0.00 C ATOM 344 CE1 TYR A 25 -4.238 5.424 -8.250 1.00 0.00 C ATOM 345 CE2 TYR A 25 -3.792 4.512 -6.087 1.00 0.00 C ATOM 346 CZ TYR A 25 -3.658 5.544 -7.007 1.00 0.00 C ATOM 347 OH TYR A 25 -2.952 6.687 -6.685 1.00 0.00 O ATOM 0 H TYR A 25 -8.584 3.589 -8.603 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.707 1.251 -7.326 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.454 1.268 -7.304 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.721 1.813 -8.948 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.395 4.195 -9.525 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.581 2.624 -5.695 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -4.140 6.217 -8.977 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.339 4.594 -5.110 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.857 7.248 -7.483 1.00 0.00 H new ATOM 357 N GLY A 26 -7.386 2.817 -5.268 1.00 0.00 N ATOM 358 CA GLY A 26 -7.609 3.671 -4.146 1.00 0.00 C ATOM 359 C GLY A 26 -6.383 3.718 -3.296 1.00 0.00 C ATOM 360 O GLY A 26 -5.686 2.708 -3.168 1.00 0.00 O ATOM 0 H GLY A 26 -7.029 1.891 -5.034 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.866 4.674 -4.486 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.454 3.306 -3.562 1.00 0.00 H new ATOM 364 N GLY A 27 -6.125 4.853 -2.700 1.00 0.00 N ATOM 365 CA GLY A 27 -4.916 5.023 -1.934 1.00 0.00 C ATOM 366 C GLY A 27 -5.200 5.073 -0.466 1.00 0.00 C ATOM 367 O GLY A 27 -5.145 6.137 0.156 1.00 0.00 O ATOM 0 H GLY A 27 -6.733 5.671 -2.729 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.231 4.202 -2.146 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.416 5.942 -2.240 1.00 0.00 H new ATOM 371 N LEU A 28 -5.504 3.946 0.097 1.00 0.00 N ATOM 372 CA LEU A 28 -5.821 3.874 1.470 1.00 0.00 C ATOM 373 C LEU A 28 -4.779 3.094 2.201 1.00 0.00 C ATOM 374 O LEU A 28 -4.066 2.283 1.617 1.00 0.00 O ATOM 375 CB LEU A 28 -7.286 3.373 1.770 1.00 0.00 C ATOM 376 CG LEU A 28 -7.823 2.025 1.160 1.00 0.00 C ATOM 377 CD1 LEU A 28 -7.939 2.075 -0.355 1.00 0.00 C ATOM 378 CD2 LEU A 28 -7.003 0.815 1.605 1.00 0.00 C ATOM 0 H LEU A 28 -5.537 3.052 -0.393 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.813 4.896 1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.381 3.293 2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.965 4.162 1.448 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.830 1.903 1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.314 1.120 -0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.628 2.870 -0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.958 2.271 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.415 -0.089 1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.968 0.939 1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.040 0.730 2.691 1.00 0.00 H new ATOM 390 N ILE A 29 -4.660 3.359 3.443 1.00 0.00 N ATOM 391 CA ILE A 29 -3.680 2.655 4.244 1.00 0.00 C ATOM 392 C ILE A 29 -4.226 1.834 5.322 1.00 0.00 C ATOM 393 O ILE A 29 -5.268 2.145 5.870 1.00 0.00 O ATOM 394 CB ILE A 29 -2.544 3.501 4.746 1.00 0.00 C ATOM 395 CG1 ILE A 29 -3.012 4.876 5.249 1.00 0.00 C ATOM 396 CG2 ILE A 29 -1.550 3.585 3.666 1.00 0.00 C ATOM 397 CD1 ILE A 29 -1.903 5.732 5.839 1.00 0.00 C ATOM 0 H ILE A 29 -5.215 4.051 3.946 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.263 1.966 3.510 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.089 3.041 5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.472 5.416 4.422 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.785 4.731 6.004 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.707 4.193 3.994 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.199 2.584 3.416 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.006 4.040 2.787 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.316 6.685 6.170 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.457 5.215 6.689 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.140 5.911 5.082 1.00 0.00 H new ATOM 409 N PHE A 30 -3.475 0.812 5.666 1.00 0.00 N ATOM 410 CA PHE A 30 -3.924 -0.167 6.656 1.00 0.00 C ATOM 411 C PHE A 30 -3.740 0.355 8.067 1.00 0.00 C ATOM 412 O PHE A 30 -2.735 0.052 8.714 1.00 0.00 O ATOM 413 CB PHE A 30 -3.174 -1.518 6.576 1.00 0.00 C ATOM 414 CG PHE A 30 -3.075 -2.164 5.235 1.00 0.00 C ATOM 415 CD1 PHE A 30 -4.059 -3.027 4.760 1.00 0.00 C ATOM 416 CD2 PHE A 30 -1.964 -1.936 4.464 1.00 0.00 C ATOM 417 CE1 PHE A 30 -3.909 -3.634 3.513 1.00 0.00 C ATOM 418 CE2 PHE A 30 -1.807 -2.531 3.250 1.00 0.00 C ATOM 419 CZ PHE A 30 -2.774 -3.379 2.764 1.00 0.00 C ATOM 0 H PHE A 30 -2.549 0.629 5.280 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.976 -0.329 6.423 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.163 -1.366 6.953 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.665 -2.218 7.253 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.937 -3.226 5.356 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.196 -1.269 4.828 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.673 -4.298 3.135 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.919 -2.336 2.666 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.648 -3.846 1.798 1.00 0.00 H new ATOM 429 N VAL A 31 -4.622 1.185 8.520 1.00 0.00 N ATOM 430 CA VAL A 31 -4.592 1.556 9.897 1.00 0.00 C ATOM 431 C VAL A 31 -5.890 1.135 10.509 1.00 0.00 C ATOM 432 O VAL A 31 -6.967 1.610 10.110 1.00 0.00 O ATOM 433 CB VAL A 31 -4.300 3.046 10.159 1.00 0.00 C ATOM 434 CG1 VAL A 31 -4.237 3.286 11.653 1.00 0.00 C ATOM 435 CG2 VAL A 31 -2.990 3.462 9.505 1.00 0.00 C ATOM 0 H VAL A 31 -5.363 1.614 7.966 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.750 1.044 10.362 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.100 3.646 9.725 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.031 4.339 11.844 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.191 3.015 12.106 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.444 2.676 12.086 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.804 4.518 9.703 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.174 2.867 9.914 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.053 3.300 8.429 1.00 0.00 H new ATOM 445 N ALA A 32 -5.784 0.225 11.442 1.00 0.00 N ATOM 446 CA ALA A 32 -6.908 -0.418 12.053 1.00 0.00 C ATOM 447 C ALA A 32 -7.853 0.559 12.714 1.00 0.00 C ATOM 448 O ALA A 32 -7.485 1.273 13.651 1.00 0.00 O ATOM 449 CB ALA A 32 -6.443 -1.469 13.044 1.00 0.00 C ATOM 0 H ALA A 32 -4.886 -0.095 11.805 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.469 -0.903 11.254 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.310 -1.948 13.500 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.845 -2.218 12.526 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.840 -0.996 13.820 1.00 0.00 H new ATOM 455 N THR A 33 -9.047 0.614 12.165 1.00 0.00 N ATOM 456 CA THR A 33 -10.210 1.354 12.688 1.00 0.00 C ATOM 457 C THR A 33 -10.061 2.891 12.693 1.00 0.00 C ATOM 458 O THR A 33 -10.850 3.599 13.313 1.00 0.00 O ATOM 459 CB THR A 33 -10.705 0.802 14.074 1.00 0.00 C ATOM 460 OG1 THR A 33 -9.646 0.778 15.057 1.00 0.00 O ATOM 461 CG2 THR A 33 -11.235 -0.602 13.903 1.00 0.00 C ATOM 0 H THR A 33 -9.260 0.123 11.296 1.00 0.00 H new ATOM 0 HA THR A 33 -10.995 1.158 11.958 1.00 0.00 H new ATOM 0 HB THR A 33 -11.489 1.471 14.428 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.893 1.320 14.740 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.577 -0.981 14.866 1.00 0.00 H new ATOM 0 HG22 THR A 33 -12.068 -0.593 13.200 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.443 -1.246 13.520 1.00 0.00 H new ATOM 469 N SER A 34 -9.084 3.403 11.983 1.00 0.00 N ATOM 470 CA SER A 34 -8.933 4.827 11.853 1.00 0.00 C ATOM 471 C SER A 34 -9.649 5.267 10.592 1.00 0.00 C ATOM 472 O SER A 34 -9.230 4.914 9.528 1.00 0.00 O ATOM 473 CB SER A 34 -7.451 5.196 11.816 1.00 0.00 C ATOM 474 OG SER A 34 -6.793 4.750 12.999 1.00 0.00 O ATOM 0 H SER A 34 -8.383 2.852 11.487 1.00 0.00 H new ATOM 0 HA SER A 34 -9.372 5.339 12.709 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.981 4.747 10.941 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.342 6.276 11.718 1.00 0.00 H new ATOM 0 HG SER A 34 -5.890 5.128 13.033 1.00 0.00 H new ATOM 480 N PRO A 35 -10.732 6.074 10.708 1.00 0.00 N ATOM 481 CA PRO A 35 -11.616 6.467 9.567 1.00 0.00 C ATOM 482 C PRO A 35 -10.976 7.415 8.535 1.00 0.00 C ATOM 483 O PRO A 35 -11.661 8.188 7.874 1.00 0.00 O ATOM 484 CB PRO A 35 -12.773 7.166 10.252 1.00 0.00 C ATOM 485 CG PRO A 35 -12.202 7.687 11.511 1.00 0.00 C ATOM 486 CD PRO A 35 -11.207 6.668 11.967 1.00 0.00 C ATOM 0 HA PRO A 35 -11.878 5.588 8.978 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.171 7.971 9.634 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -13.595 6.476 10.445 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.725 8.654 11.352 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.980 7.835 12.260 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.392 7.124 12.529 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.664 5.922 12.617 1.00 0.00 H new ATOM 494 N ARG A 36 -9.694 7.353 8.436 1.00 0.00 N ATOM 495 CA ARG A 36 -8.949 8.040 7.413 1.00 0.00 C ATOM 496 C ARG A 36 -8.100 7.002 6.680 1.00 0.00 C ATOM 497 O ARG A 36 -7.449 7.284 5.672 1.00 0.00 O ATOM 498 CB ARG A 36 -8.051 9.138 8.005 1.00 0.00 C ATOM 499 CG ARG A 36 -6.967 8.624 8.936 1.00 0.00 C ATOM 500 CD ARG A 36 -6.043 9.736 9.366 1.00 0.00 C ATOM 501 NE ARG A 36 -4.926 9.236 10.175 1.00 0.00 N ATOM 502 CZ ARG A 36 -3.680 9.725 10.140 1.00 0.00 C ATOM 503 NH1 ARG A 36 -3.384 10.750 9.345 1.00 0.00 N ATOM 504 NH2 ARG A 36 -2.739 9.195 10.916 1.00 0.00 N ATOM 0 H ARG A 36 -9.111 6.813 9.075 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.641 8.531 6.729 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.582 9.687 7.188 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.675 9.847 8.549 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.425 8.168 9.814 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.393 7.845 8.435 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.654 10.246 8.485 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.605 10.474 9.939 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.112 8.460 10.810 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.108 11.166 8.759 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.433 11.119 9.322 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.967 8.418 11.536 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.789 9.566 10.891 1.00 0.00 H new ATOM 518 N CYS A 37 -8.144 5.787 7.185 1.00 0.00 N ATOM 519 CA CYS A 37 -7.395 4.684 6.693 1.00 0.00 C ATOM 520 C CYS A 37 -8.335 3.482 6.661 1.00 0.00 C ATOM 521 O CYS A 37 -9.423 3.540 7.217 1.00 0.00 O ATOM 522 CB CYS A 37 -6.249 4.422 7.655 1.00 0.00 C ATOM 523 SG CYS A 37 -5.168 5.843 7.954 1.00 0.00 S ATOM 0 H CYS A 37 -8.732 5.546 7.983 1.00 0.00 H new ATOM 0 HA CYS A 37 -6.992 4.875 5.698 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.662 4.091 8.608 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.647 3.601 7.266 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.676 5.769 9.155 1.00 0.00 H new ATOM 529 N VAL A 38 -7.957 2.439 6.012 1.00 0.00 N ATOM 530 CA VAL A 38 -8.774 1.275 5.942 1.00 0.00 C ATOM 531 C VAL A 38 -7.887 0.058 5.965 1.00 0.00 C ATOM 532 O VAL A 38 -6.872 -0.009 5.294 1.00 0.00 O ATOM 533 CB VAL A 38 -9.712 1.324 4.664 1.00 0.00 C ATOM 534 CG1 VAL A 38 -9.744 0.019 3.889 1.00 0.00 C ATOM 535 CG2 VAL A 38 -11.128 1.694 5.068 1.00 0.00 C ATOM 0 H VAL A 38 -7.071 2.366 5.512 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.439 1.228 6.805 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.287 2.082 4.006 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.404 0.123 3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.738 -0.226 3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.112 -0.779 4.534 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -11.763 1.725 4.182 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.514 0.950 5.765 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.126 2.673 5.547 1.00 0.00 H new ATOM 545 N ASN A 39 -8.297 -0.874 6.720 1.00 0.00 N ATOM 546 CA ASN A 39 -7.601 -2.108 6.896 1.00 0.00 C ATOM 547 C ASN A 39 -8.288 -3.165 6.090 1.00 0.00 C ATOM 548 O ASN A 39 -9.406 -2.926 5.593 1.00 0.00 O ATOM 549 CB ASN A 39 -7.511 -2.447 8.395 1.00 0.00 C ATOM 550 CG ASN A 39 -8.816 -2.232 9.108 1.00 0.00 C ATOM 551 OD1 ASN A 39 -9.107 -1.142 9.612 1.00 0.00 O ATOM 552 ND2 ASN A 39 -9.592 -3.242 9.188 1.00 0.00 N ATOM 0 H ASN A 39 -9.159 -0.812 7.261 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.575 -2.036 6.536 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.202 -3.486 8.512 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.740 -1.831 8.859 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.482 -3.163 9.679 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.322 -4.128 8.761 1.00 0.00 H new ATOM 559 N VAL A 40 -7.668 -4.327 5.981 1.00 0.00 N ATOM 560 CA VAL A 40 -8.136 -5.404 5.107 1.00 0.00 C ATOM 561 C VAL A 40 -9.585 -5.796 5.439 1.00 0.00 C ATOM 562 O VAL A 40 -10.366 -6.143 4.569 1.00 0.00 O ATOM 563 CB VAL A 40 -7.179 -6.648 5.188 1.00 0.00 C ATOM 564 CG1 VAL A 40 -7.326 -7.464 6.456 1.00 0.00 C ATOM 565 CG2 VAL A 40 -7.263 -7.519 3.967 1.00 0.00 C ATOM 0 H VAL A 40 -6.819 -4.558 6.497 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.120 -5.035 4.081 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.178 -6.218 5.224 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.630 -8.303 6.432 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.107 -6.836 7.320 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.346 -7.841 6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.582 -8.363 4.075 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.282 -7.887 3.852 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.985 -6.939 3.087 1.00 0.00 H new ATOM 575 N GLU A 41 -9.925 -5.667 6.688 1.00 0.00 N ATOM 576 CA GLU A 41 -11.199 -5.990 7.199 1.00 0.00 C ATOM 577 C GLU A 41 -12.260 -4.991 6.733 1.00 0.00 C ATOM 578 O GLU A 41 -13.330 -5.393 6.287 1.00 0.00 O ATOM 579 CB GLU A 41 -11.114 -6.016 8.689 1.00 0.00 C ATOM 580 CG GLU A 41 -10.065 -6.958 9.228 1.00 0.00 C ATOM 581 CD GLU A 41 -8.779 -6.237 9.576 1.00 0.00 C ATOM 582 OE1 GLU A 41 -8.222 -5.526 8.707 1.00 0.00 O ATOM 583 OE2 GLU A 41 -8.340 -6.319 10.722 1.00 0.00 O ATOM 0 H GLU A 41 -9.283 -5.317 7.400 1.00 0.00 H new ATOM 0 HA GLU A 41 -11.501 -6.968 6.824 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.902 -5.009 9.048 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -12.085 -6.301 9.093 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.450 -7.460 10.115 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.858 -7.732 8.488 1.00 0.00 H new ATOM 590 N GLN A 42 -11.965 -3.673 6.829 1.00 0.00 N ATOM 591 CA GLN A 42 -12.898 -2.655 6.333 1.00 0.00 C ATOM 592 C GLN A 42 -13.065 -2.865 4.850 1.00 0.00 C ATOM 593 O GLN A 42 -14.142 -2.987 4.341 1.00 0.00 O ATOM 594 CB GLN A 42 -12.331 -1.245 6.443 1.00 0.00 C ATOM 595 CG GLN A 42 -11.668 -0.846 7.710 1.00 0.00 C ATOM 596 CD GLN A 42 -12.500 -0.987 8.905 1.00 0.00 C ATOM 597 OE1 GLN A 42 -13.719 -0.884 8.869 1.00 0.00 O ATOM 598 NE2 GLN A 42 -11.843 -1.187 9.975 1.00 0.00 N ATOM 0 H GLN A 42 -11.106 -3.304 7.237 1.00 0.00 H new ATOM 0 HA GLN A 42 -13.813 -2.749 6.918 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.610 -1.113 5.636 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.146 -0.545 6.260 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -10.767 -1.446 7.838 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -11.349 0.193 7.626 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.826 -1.264 9.942 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -12.332 -1.270 10.866 1.00 0.00 H new ATOM 607 N ALA A 43 -11.945 -2.983 4.191 1.00 0.00 N ATOM 608 CA ALA A 43 -11.872 -3.027 2.748 1.00 0.00 C ATOM 609 C ALA A 43 -12.571 -4.246 2.173 1.00 0.00 C ATOM 610 O ALA A 43 -12.971 -4.257 1.006 1.00 0.00 O ATOM 611 CB ALA A 43 -10.433 -2.990 2.309 1.00 0.00 C ATOM 0 H ALA A 43 -11.036 -3.053 4.648 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.394 -2.151 2.364 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.384 -3.023 1.221 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.967 -2.071 2.665 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.904 -3.849 2.723 1.00 0.00 H new ATOM 617 N GLN A 44 -12.729 -5.254 3.008 1.00 0.00 N ATOM 618 CA GLN A 44 -13.362 -6.489 2.638 1.00 0.00 C ATOM 619 C GLN A 44 -14.825 -6.227 2.284 1.00 0.00 C ATOM 620 O GLN A 44 -15.353 -6.796 1.347 1.00 0.00 O ATOM 621 CB GLN A 44 -13.285 -7.477 3.795 1.00 0.00 C ATOM 622 CG GLN A 44 -13.193 -8.912 3.357 1.00 0.00 C ATOM 623 CD GLN A 44 -11.830 -9.213 2.761 1.00 0.00 C ATOM 624 OE1 GLN A 44 -10.802 -8.531 3.253 1.00 0.00 O flip ATOM 625 NE2 GLN A 44 -11.698 -10.050 1.883 1.00 0.00 N flip ATOM 0 H GLN A 44 -12.413 -5.230 3.978 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.849 -6.910 1.774 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -12.417 -7.237 4.409 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -14.166 -7.354 4.426 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.374 -9.568 4.208 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -13.970 -9.122 2.622 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -12.513 -10.553 1.531 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.773 -10.247 1.501 1.00 0.00 H new ATOM 634 N GLU A 45 -15.466 -5.353 3.034 1.00 0.00 N ATOM 635 CA GLU A 45 -16.836 -5.005 2.776 1.00 0.00 C ATOM 636 C GLU A 45 -16.915 -3.894 1.748 1.00 0.00 C ATOM 637 O GLU A 45 -17.688 -3.946 0.803 1.00 0.00 O ATOM 638 CB GLU A 45 -17.508 -4.620 4.076 1.00 0.00 C ATOM 639 CG GLU A 45 -16.893 -3.479 4.855 1.00 0.00 C ATOM 640 CD GLU A 45 -17.586 -3.205 6.144 1.00 0.00 C ATOM 641 OE1 GLU A 45 -17.392 -3.967 7.110 1.00 0.00 O ATOM 642 OE2 GLU A 45 -18.330 -2.214 6.222 1.00 0.00 O ATOM 0 H GLU A 45 -15.050 -4.871 3.831 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.363 -5.864 2.361 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.544 -4.362 3.858 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.527 -5.499 4.721 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.846 -3.707 5.055 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.911 -2.578 4.242 1.00 0.00 H new ATOM 649 N VAL A 46 -16.086 -2.922 1.954 1.00 0.00 N ATOM 650 CA VAL A 46 -15.907 -1.752 1.072 1.00 0.00 C ATOM 651 C VAL A 46 -15.731 -2.160 -0.420 1.00 0.00 C ATOM 652 O VAL A 46 -16.246 -1.484 -1.303 1.00 0.00 O ATOM 653 CB VAL A 46 -14.682 -0.914 1.545 1.00 0.00 C ATOM 654 CG1 VAL A 46 -14.371 0.245 0.641 1.00 0.00 C ATOM 655 CG2 VAL A 46 -14.872 -0.409 2.956 1.00 0.00 C ATOM 0 H VAL A 46 -15.476 -2.895 2.771 1.00 0.00 H new ATOM 0 HA VAL A 46 -16.813 -1.150 1.139 1.00 0.00 H new ATOM 0 HB VAL A 46 -13.833 -1.597 1.510 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.508 0.787 1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -14.149 -0.124 -0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -15.230 0.914 0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -13.999 0.172 3.255 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -15.760 0.221 3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -14.994 -1.255 3.632 1.00 0.00 H new ATOM 665 N MET A 47 -15.059 -3.303 -0.685 1.00 0.00 N ATOM 666 CA MET A 47 -14.835 -3.779 -2.081 1.00 0.00 C ATOM 667 C MET A 47 -16.155 -4.122 -2.775 1.00 0.00 C ATOM 668 O MET A 47 -16.221 -4.200 -4.002 1.00 0.00 O ATOM 669 CB MET A 47 -13.922 -5.027 -2.149 1.00 0.00 C ATOM 670 CG MET A 47 -14.562 -6.302 -1.598 1.00 0.00 C ATOM 671 SD MET A 47 -13.662 -7.817 -2.008 1.00 0.00 S ATOM 672 CE MET A 47 -12.081 -7.523 -1.240 1.00 0.00 C ATOM 0 H MET A 47 -14.665 -3.910 0.034 1.00 0.00 H new ATOM 0 HA MET A 47 -14.343 -2.951 -2.591 1.00 0.00 H new ATOM 0 HB2 MET A 47 -13.635 -5.197 -3.187 1.00 0.00 H new ATOM 0 HB3 MET A 47 -13.006 -4.824 -1.594 1.00 0.00 H new ATOM 0 HG2 MET A 47 -14.637 -6.219 -0.514 1.00 0.00 H new ATOM 0 HG3 MET A 47 -15.579 -6.381 -1.983 1.00 0.00 H new ATOM 0 HE1 MET A 47 -11.715 -8.448 -0.795 1.00 0.00 H new ATOM 0 HE2 MET A 47 -11.371 -7.175 -1.990 1.00 0.00 H new ATOM 0 HE3 MET A 47 -12.189 -6.765 -0.464 1.00 0.00 H new ATOM 682 N ALA A 48 -17.186 -4.362 -1.990 1.00 0.00 N ATOM 683 CA ALA A 48 -18.479 -4.691 -2.530 1.00 0.00 C ATOM 684 C ALA A 48 -19.206 -3.420 -2.895 1.00 0.00 C ATOM 685 O ALA A 48 -20.005 -3.391 -3.826 1.00 0.00 O ATOM 686 CB ALA A 48 -19.277 -5.499 -1.520 1.00 0.00 C ATOM 0 H ALA A 48 -17.147 -4.334 -0.971 1.00 0.00 H new ATOM 0 HA ALA A 48 -18.357 -5.297 -3.427 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -20.253 -5.742 -1.939 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -18.742 -6.420 -1.287 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -19.408 -4.915 -0.609 1.00 0.00 H new ATOM 692 N ALA A 49 -18.888 -2.356 -2.180 1.00 0.00 N ATOM 693 CA ALA A 49 -19.505 -1.078 -2.406 1.00 0.00 C ATOM 694 C ALA A 49 -18.801 -0.363 -3.543 1.00 0.00 C ATOM 695 O ALA A 49 -19.443 0.180 -4.441 1.00 0.00 O ATOM 696 CB ALA A 49 -19.475 -0.236 -1.135 1.00 0.00 C ATOM 0 H ALA A 49 -18.196 -2.361 -1.431 1.00 0.00 H new ATOM 0 HA ALA A 49 -20.548 -1.231 -2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -19.947 0.728 -1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -20.015 -0.754 -0.343 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.441 -0.079 -0.827 1.00 0.00 H new ATOM 702 N ALA A 50 -17.489 -0.378 -3.512 1.00 0.00 N ATOM 703 CA ALA A 50 -16.706 0.228 -4.497 1.00 0.00 C ATOM 704 C ALA A 50 -15.621 -0.747 -4.892 1.00 0.00 C ATOM 705 O ALA A 50 -14.636 -0.893 -4.179 1.00 0.00 O ATOM 706 CB ALA A 50 -16.106 1.507 -3.948 1.00 0.00 C ATOM 0 H ALA A 50 -16.949 -0.829 -2.773 1.00 0.00 H new ATOM 0 HA ALA A 50 -17.306 0.483 -5.371 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -15.495 1.981 -4.716 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -16.905 2.186 -3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -15.486 1.276 -3.082 1.00 0.00 H new ATOM 712 N PRO A 51 -15.810 -1.486 -5.997 1.00 0.00 N ATOM 713 CA PRO A 51 -14.812 -2.461 -6.495 1.00 0.00 C ATOM 714 C PRO A 51 -13.565 -1.786 -7.101 1.00 0.00 C ATOM 715 O PRO A 51 -13.072 -2.175 -8.168 1.00 0.00 O ATOM 716 CB PRO A 51 -15.583 -3.217 -7.573 1.00 0.00 C ATOM 717 CG PRO A 51 -16.619 -2.268 -8.036 1.00 0.00 C ATOM 718 CD PRO A 51 -17.029 -1.489 -6.827 1.00 0.00 C ATOM 0 HA PRO A 51 -14.424 -3.091 -5.694 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.928 -3.517 -8.391 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -16.031 -4.127 -7.174 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -16.227 -1.609 -8.811 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -17.469 -2.797 -8.467 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -17.341 -0.478 -7.087 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -17.866 -1.958 -6.311 1.00 0.00 H new ATOM 726 N LEU A 52 -13.048 -0.828 -6.401 1.00 0.00 N ATOM 727 CA LEU A 52 -11.866 -0.142 -6.798 1.00 0.00 C ATOM 728 C LEU A 52 -10.645 -0.922 -6.344 1.00 0.00 C ATOM 729 O LEU A 52 -10.713 -1.709 -5.393 1.00 0.00 O ATOM 730 CB LEU A 52 -11.888 1.334 -6.330 1.00 0.00 C ATOM 731 CG LEU A 52 -12.540 1.619 -4.960 1.00 0.00 C ATOM 732 CD1 LEU A 52 -11.678 1.190 -3.784 1.00 0.00 C ATOM 733 CD2 LEU A 52 -12.990 3.066 -4.847 1.00 0.00 C ATOM 0 H LEU A 52 -13.444 -0.496 -5.522 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.816 -0.089 -7.886 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.860 1.696 -6.299 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.411 1.922 -7.084 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.432 0.995 -4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.195 1.419 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.491 0.118 -3.842 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.729 1.726 -3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -13.444 3.231 -3.870 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.129 3.725 -4.963 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -13.720 3.282 -5.627 1.00 0.00 H new ATOM 745 N GLN A 53 -9.581 -0.765 -7.060 1.00 0.00 N ATOM 746 CA GLN A 53 -8.380 -1.494 -6.834 1.00 0.00 C ATOM 747 C GLN A 53 -7.678 -0.989 -5.554 1.00 0.00 C ATOM 748 O GLN A 53 -7.796 0.166 -5.208 1.00 0.00 O ATOM 749 CB GLN A 53 -7.518 -1.327 -8.081 1.00 0.00 C ATOM 750 CG GLN A 53 -6.797 -2.568 -8.458 1.00 0.00 C ATOM 751 CD GLN A 53 -5.701 -2.910 -7.498 1.00 0.00 C ATOM 752 OE1 GLN A 53 -5.463 -4.073 -7.215 1.00 0.00 O ATOM 753 NE2 GLN A 53 -4.952 -1.905 -7.071 1.00 0.00 N ATOM 0 H GLN A 53 -9.523 -0.109 -7.839 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.576 -2.553 -6.669 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.149 -1.013 -8.913 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.794 -0.530 -7.911 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.505 -3.395 -8.505 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.377 -2.451 -9.457 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.187 -0.947 -7.332 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.140 -2.089 -6.482 1.00 0.00 H new ATOM 762 N TYR A 54 -6.938 -1.847 -4.882 1.00 0.00 N ATOM 763 CA TYR A 54 -6.324 -1.482 -3.626 1.00 0.00 C ATOM 764 C TYR A 54 -4.798 -1.538 -3.685 1.00 0.00 C ATOM 765 O TYR A 54 -4.204 -2.440 -4.310 1.00 0.00 O ATOM 766 CB TYR A 54 -6.812 -2.391 -2.495 1.00 0.00 C ATOM 767 CG TYR A 54 -8.278 -2.267 -2.140 1.00 0.00 C ATOM 768 CD1 TYR A 54 -8.687 -1.345 -1.201 1.00 0.00 C ATOM 769 CD2 TYR A 54 -9.241 -3.083 -2.718 1.00 0.00 C ATOM 770 CE1 TYR A 54 -10.009 -1.223 -0.840 1.00 0.00 C ATOM 771 CE2 TYR A 54 -10.573 -2.974 -2.359 1.00 0.00 C ATOM 772 CZ TYR A 54 -10.949 -2.038 -1.419 1.00 0.00 C ATOM 773 OH TYR A 54 -12.262 -1.928 -1.046 1.00 0.00 O ATOM 0 H TYR A 54 -6.748 -2.802 -5.186 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.621 -0.452 -3.429 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.610 -3.426 -2.773 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.222 -2.179 -1.603 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.952 -0.703 -0.738 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.947 -3.813 -3.458 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.305 -0.490 -0.105 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -11.313 -3.617 -2.812 1.00 0.00 H new ATOM 0 HH TYR A 54 -12.480 -2.634 -0.403 1.00 0.00 H new ATOM 783 N VAL A 55 -4.176 -0.574 -3.053 1.00 0.00 N ATOM 784 CA VAL A 55 -2.747 -0.544 -2.873 1.00 0.00 C ATOM 785 C VAL A 55 -2.493 -0.359 -1.395 1.00 0.00 C ATOM 786 O VAL A 55 -3.268 0.308 -0.715 1.00 0.00 O ATOM 787 CB VAL A 55 -2.029 0.591 -3.698 1.00 0.00 C ATOM 788 CG1 VAL A 55 -2.546 1.980 -3.321 1.00 0.00 C ATOM 789 CG2 VAL A 55 -0.501 0.525 -3.513 1.00 0.00 C ATOM 0 H VAL A 55 -4.658 0.226 -2.642 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.328 -1.478 -3.248 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.263 0.419 -4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.026 2.734 -3.912 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.616 2.037 -3.521 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.365 2.160 -2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.030 1.319 -4.093 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.256 0.652 -2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.134 -0.442 -3.857 1.00 0.00 H new ATOM 799 N GLY A 56 -1.477 -0.978 -0.898 1.00 0.00 N ATOM 800 CA GLY A 56 -1.172 -0.859 0.480 1.00 0.00 C ATOM 801 C GLY A 56 0.100 -0.149 0.699 1.00 0.00 C ATOM 802 O GLY A 56 1.107 -0.469 0.098 1.00 0.00 O ATOM 0 H GLY A 56 -0.843 -1.573 -1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.977 -0.327 0.986 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.116 -1.852 0.927 1.00 0.00 H new ATOM 806 N VAL A 57 0.055 0.831 1.529 1.00 0.00 N ATOM 807 CA VAL A 57 1.236 1.576 1.873 1.00 0.00 C ATOM 808 C VAL A 57 1.496 1.291 3.326 1.00 0.00 C ATOM 809 O VAL A 57 0.764 1.780 4.191 1.00 0.00 O ATOM 810 CB VAL A 57 1.045 3.115 1.678 1.00 0.00 C ATOM 811 CG1 VAL A 57 2.352 3.882 1.845 1.00 0.00 C ATOM 812 CG2 VAL A 57 0.348 3.455 0.355 1.00 0.00 C ATOM 0 H VAL A 57 -0.796 1.147 1.994 1.00 0.00 H new ATOM 0 HA VAL A 57 2.062 1.279 1.227 1.00 0.00 H new ATOM 0 HB VAL A 57 0.379 3.445 2.475 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.170 4.947 1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.747 3.714 2.847 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.075 3.534 1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.239 4.536 0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.945 3.082 -0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.637 2.989 0.332 1.00 0.00 H new ATOM 822 N PHE A 58 2.489 0.509 3.633 1.00 0.00 N ATOM 823 CA PHE A 58 2.643 0.126 5.014 1.00 0.00 C ATOM 824 C PHE A 58 4.022 -0.355 5.295 1.00 0.00 C ATOM 825 O PHE A 58 4.690 -0.921 4.445 1.00 0.00 O ATOM 826 CB PHE A 58 1.589 -0.942 5.405 1.00 0.00 C ATOM 827 CG PHE A 58 1.397 -1.127 6.895 1.00 0.00 C ATOM 828 CD1 PHE A 58 0.695 -0.189 7.632 1.00 0.00 C ATOM 829 CD2 PHE A 58 1.918 -2.226 7.554 1.00 0.00 C ATOM 830 CE1 PHE A 58 0.517 -0.344 8.992 1.00 0.00 C ATOM 831 CE2 PHE A 58 1.744 -2.387 8.915 1.00 0.00 C ATOM 832 CZ PHE A 58 1.043 -1.444 9.635 1.00 0.00 C ATOM 0 H PHE A 58 3.179 0.135 2.982 1.00 0.00 H new ATOM 0 HA PHE A 58 2.476 1.011 5.627 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.632 -0.668 4.961 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.881 -1.897 4.969 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.281 0.676 7.136 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.469 -2.969 6.996 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.034 0.397 9.552 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.157 -3.251 9.414 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.906 -1.566 10.699 1.00 0.00 H new ATOM 842 N ARG A 59 4.465 -0.087 6.474 1.00 0.00 N ATOM 843 CA ARG A 59 5.729 -0.551 6.901 1.00 0.00 C ATOM 844 C ARG A 59 5.475 -1.874 7.609 1.00 0.00 C ATOM 845 O ARG A 59 5.119 -1.902 8.792 1.00 0.00 O ATOM 846 CB ARG A 59 6.355 0.491 7.837 1.00 0.00 C ATOM 847 CG ARG A 59 6.379 1.901 7.234 1.00 0.00 C ATOM 848 CD ARG A 59 6.864 2.951 8.225 1.00 0.00 C ATOM 849 NE ARG A 59 5.970 3.071 9.392 1.00 0.00 N ATOM 850 CZ ARG A 59 5.938 4.120 10.238 1.00 0.00 C ATOM 851 NH1 ARG A 59 6.696 5.195 10.012 1.00 0.00 N ATOM 852 NH2 ARG A 59 5.128 4.097 11.299 1.00 0.00 N ATOM 0 H ARG A 59 3.956 0.462 7.167 1.00 0.00 H new ATOM 0 HA ARG A 59 6.426 -0.699 6.076 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.797 0.512 8.773 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.374 0.188 8.079 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.027 1.907 6.357 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.378 2.164 6.892 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.867 2.693 8.563 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.935 3.916 7.723 1.00 0.00 H new ATOM 0 HE ARG A 59 5.326 2.301 9.573 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.305 5.227 9.194 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.666 5.985 10.657 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.534 3.286 11.469 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.104 4.891 11.939 1.00 0.00 H new ATOM 866 N ASN A 60 5.583 -2.953 6.863 1.00 0.00 N ATOM 867 CA ASN A 60 5.276 -4.246 7.319 1.00 0.00 C ATOM 868 C ASN A 60 6.473 -4.887 7.905 1.00 0.00 C ATOM 869 O ASN A 60 7.628 -4.567 7.585 1.00 0.00 O ATOM 870 CB ASN A 60 4.721 -5.130 6.188 1.00 0.00 C ATOM 871 CG ASN A 60 3.374 -4.674 5.637 1.00 0.00 C ATOM 872 OD1 ASN A 60 3.316 -3.831 4.756 1.00 0.00 O ATOM 873 ND2 ASN A 60 2.286 -5.260 6.103 1.00 0.00 N ATOM 0 H ASN A 60 5.899 -2.928 5.894 1.00 0.00 H new ATOM 0 HA ASN A 60 4.506 -4.145 8.084 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.444 -5.153 5.373 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.623 -6.151 6.556 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.371 -5.011 5.726 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.360 -5.962 6.840 1.00 0.00 H new ATOM 880 N HIS A 61 6.161 -5.762 8.734 1.00 0.00 N ATOM 881 CA HIS A 61 7.089 -6.548 9.524 1.00 0.00 C ATOM 882 C HIS A 61 7.291 -7.955 8.949 1.00 0.00 C ATOM 883 O HIS A 61 8.315 -8.241 8.328 1.00 0.00 O ATOM 884 CB HIS A 61 6.644 -6.583 11.030 1.00 0.00 C ATOM 885 CG HIS A 61 5.163 -6.860 11.292 1.00 0.00 C ATOM 886 ND1 HIS A 61 4.511 -8.031 11.521 1.00 0.00 N flip ATOM 887 CD2 HIS A 61 4.187 -5.882 11.317 1.00 0.00 C flip ATOM 888 CE1 HIS A 61 3.154 -7.783 11.676 1.00 0.00 C flip ATOM 889 NE2 HIS A 61 3.011 -6.474 11.543 1.00 0.00 N flip ATOM 0 H HIS A 61 5.188 -5.999 8.926 1.00 0.00 H new ATOM 0 HA HIS A 61 8.062 -6.059 9.476 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.231 -7.345 11.543 1.00 0.00 H new ATOM 0 HB3 HIS A 61 6.899 -5.626 11.485 1.00 0.00 H new ATOM 0 HD2 HIS A 61 4.347 -4.823 11.178 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.376 -8.508 11.866 1.00 0.00 H new ATOM 0 HE2 HIS A 61 2.120 -5.982 11.605 1.00 0.00 H new ATOM 897 N ASP A 62 6.298 -8.795 9.111 1.00 0.00 N ATOM 898 CA ASP A 62 6.354 -10.179 8.677 1.00 0.00 C ATOM 899 C ASP A 62 6.044 -10.250 7.211 1.00 0.00 C ATOM 900 O ASP A 62 5.083 -9.645 6.741 1.00 0.00 O ATOM 901 CB ASP A 62 5.332 -11.019 9.464 1.00 0.00 C ATOM 902 CG ASP A 62 5.479 -12.534 9.293 1.00 0.00 C ATOM 903 OD1 ASP A 62 5.995 -13.001 8.271 1.00 0.00 O ATOM 904 OD2 ASP A 62 5.066 -13.286 10.222 1.00 0.00 O ATOM 0 H ASP A 62 5.415 -8.538 9.553 1.00 0.00 H new ATOM 0 HA ASP A 62 7.353 -10.575 8.860 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.422 -10.777 10.523 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.328 -10.728 9.154 1.00 0.00 H new ATOM 909 N ILE A 63 6.866 -10.964 6.496 1.00 0.00 N ATOM 910 CA ILE A 63 6.672 -11.192 5.085 1.00 0.00 C ATOM 911 C ILE A 63 5.343 -11.901 4.821 1.00 0.00 C ATOM 912 O ILE A 63 4.641 -11.597 3.851 1.00 0.00 O ATOM 913 CB ILE A 63 7.879 -11.959 4.458 1.00 0.00 C ATOM 914 CG1 ILE A 63 7.593 -12.308 3.007 1.00 0.00 C ATOM 915 CG2 ILE A 63 8.222 -13.212 5.258 1.00 0.00 C ATOM 916 CD1 ILE A 63 8.830 -12.495 2.167 1.00 0.00 C ATOM 0 H ILE A 63 7.700 -11.411 6.877 1.00 0.00 H new ATOM 0 HA ILE A 63 6.625 -10.221 4.592 1.00 0.00 H new ATOM 0 HB ILE A 63 8.746 -11.300 4.492 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.002 -13.223 2.974 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.983 -11.519 2.567 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.066 -13.721 4.793 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.484 -12.932 6.278 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.361 -13.880 5.275 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.542 -12.742 1.145 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.413 -11.574 2.167 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.431 -13.305 2.580 1.00 0.00 H new ATOM 928 N ALA A 64 4.942 -12.745 5.751 1.00 0.00 N ATOM 929 CA ALA A 64 3.708 -13.493 5.613 1.00 0.00 C ATOM 930 C ALA A 64 2.504 -12.576 5.830 1.00 0.00 C ATOM 931 O ALA A 64 1.415 -12.853 5.366 1.00 0.00 O ATOM 932 CB ALA A 64 3.687 -14.669 6.576 1.00 0.00 C ATOM 0 H ALA A 64 5.455 -12.930 6.613 1.00 0.00 H new ATOM 0 HA ALA A 64 3.650 -13.891 4.600 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.753 -15.219 6.458 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.527 -15.330 6.362 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.766 -14.303 7.600 1.00 0.00 H new ATOM 938 N ASP A 65 2.751 -11.437 6.461 1.00 0.00 N ATOM 939 CA ASP A 65 1.703 -10.450 6.762 1.00 0.00 C ATOM 940 C ASP A 65 1.377 -9.671 5.510 1.00 0.00 C ATOM 941 O ASP A 65 0.215 -9.322 5.249 1.00 0.00 O ATOM 942 CB ASP A 65 2.142 -9.496 7.894 1.00 0.00 C ATOM 943 CG ASP A 65 1.161 -8.361 8.151 1.00 0.00 C ATOM 944 OD1 ASP A 65 0.052 -8.619 8.674 1.00 0.00 O ATOM 945 OD2 ASP A 65 1.494 -7.191 7.874 1.00 0.00 O ATOM 0 H ASP A 65 3.680 -11.164 6.782 1.00 0.00 H new ATOM 0 HA ASP A 65 0.813 -10.977 7.105 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.269 -10.070 8.812 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.115 -9.074 7.645 1.00 0.00 H new ATOM 950 N VAL A 66 2.403 -9.436 4.712 1.00 0.00 N ATOM 951 CA VAL A 66 2.237 -8.771 3.443 1.00 0.00 C ATOM 952 C VAL A 66 1.517 -9.716 2.505 1.00 0.00 C ATOM 953 O VAL A 66 0.560 -9.327 1.838 1.00 0.00 O ATOM 954 CB VAL A 66 3.591 -8.365 2.812 1.00 0.00 C ATOM 955 CG1 VAL A 66 3.376 -7.542 1.546 1.00 0.00 C ATOM 956 CG2 VAL A 66 4.437 -7.599 3.802 1.00 0.00 C ATOM 0 H VAL A 66 3.364 -9.700 4.927 1.00 0.00 H new ATOM 0 HA VAL A 66 1.666 -7.857 3.607 1.00 0.00 H new ATOM 0 HB VAL A 66 4.121 -9.278 2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.342 -7.269 1.121 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.814 -8.130 0.821 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.818 -6.638 1.790 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.383 -7.324 3.336 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.909 -6.697 4.110 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.630 -8.223 4.675 1.00 0.00 H new ATOM 966 N VAL A 67 1.949 -10.987 2.515 1.00 0.00 N ATOM 967 CA VAL A 67 1.341 -12.024 1.667 1.00 0.00 C ATOM 968 C VAL A 67 -0.135 -12.176 2.024 1.00 0.00 C ATOM 969 O VAL A 67 -0.993 -12.326 1.146 1.00 0.00 O ATOM 970 CB VAL A 67 2.069 -13.404 1.812 1.00 0.00 C ATOM 971 CG1 VAL A 67 1.400 -14.481 0.959 1.00 0.00 C ATOM 972 CG2 VAL A 67 3.536 -13.284 1.425 1.00 0.00 C ATOM 0 H VAL A 67 2.715 -11.321 3.100 1.00 0.00 H new ATOM 0 HA VAL A 67 1.444 -11.707 0.629 1.00 0.00 H new ATOM 0 HB VAL A 67 1.998 -13.699 2.859 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.930 -15.425 1.083 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.364 -14.603 1.274 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.428 -14.184 -0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.021 -14.254 1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.613 -12.953 0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.026 -12.559 2.075 1.00 0.00 H new ATOM 982 N ASP A 68 -0.405 -12.097 3.314 1.00 0.00 N ATOM 983 CA ASP A 68 -1.746 -12.164 3.876 1.00 0.00 C ATOM 984 C ASP A 68 -2.643 -11.086 3.287 1.00 0.00 C ATOM 985 O ASP A 68 -3.601 -11.394 2.583 1.00 0.00 O ATOM 986 CB ASP A 68 -1.669 -12.012 5.404 1.00 0.00 C ATOM 987 CG ASP A 68 -3.011 -11.897 6.087 1.00 0.00 C ATOM 988 OD1 ASP A 68 -3.650 -12.939 6.370 1.00 0.00 O ATOM 989 OD2 ASP A 68 -3.426 -10.765 6.411 1.00 0.00 O ATOM 0 H ASP A 68 0.321 -11.981 4.021 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.179 -13.133 3.626 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.137 -12.870 5.816 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.078 -11.127 5.640 1.00 0.00 H new ATOM 994 N LYS A 69 -2.284 -9.829 3.501 1.00 0.00 N ATOM 995 CA LYS A 69 -3.113 -8.699 3.056 1.00 0.00 C ATOM 996 C LYS A 69 -3.225 -8.668 1.539 1.00 0.00 C ATOM 997 O LYS A 69 -4.312 -8.407 0.992 1.00 0.00 O ATOM 998 CB LYS A 69 -2.551 -7.358 3.566 1.00 0.00 C ATOM 999 CG LYS A 69 -2.359 -7.271 5.080 1.00 0.00 C ATOM 1000 CD LYS A 69 -3.652 -7.526 5.818 1.00 0.00 C ATOM 1001 CE LYS A 69 -3.458 -7.552 7.325 1.00 0.00 C ATOM 1002 NZ LYS A 69 -2.559 -8.642 7.755 1.00 0.00 N ATOM 0 H LYS A 69 -1.425 -9.557 3.980 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.108 -8.841 3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.591 -7.176 3.082 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.222 -6.558 3.254 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.610 -7.997 5.395 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.977 -6.285 5.343 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.374 -6.752 5.560 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.073 -8.477 5.491 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.050 -6.596 7.653 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.426 -7.669 7.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.908 -9.048 8.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.535 -9.381 7.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.600 -8.265 7.898 1.00 0.00 H new ATOM 1016 N ALA A 70 -2.115 -8.965 0.873 1.00 0.00 N ATOM 1017 CA ALA A 70 -2.049 -8.987 -0.577 1.00 0.00 C ATOM 1018 C ALA A 70 -2.994 -10.018 -1.158 1.00 0.00 C ATOM 1019 O ALA A 70 -3.579 -9.795 -2.207 1.00 0.00 O ATOM 1020 CB ALA A 70 -0.631 -9.256 -1.043 1.00 0.00 C ATOM 0 H ALA A 70 -1.233 -9.198 1.329 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.358 -8.005 -0.936 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.602 -9.269 -2.133 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.029 -8.472 -0.672 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.299 -10.221 -0.660 1.00 0.00 H new ATOM 1026 N LYS A 71 -3.157 -11.130 -0.464 1.00 0.00 N ATOM 1027 CA LYS A 71 -4.030 -12.188 -0.920 1.00 0.00 C ATOM 1028 C LYS A 71 -5.481 -11.891 -0.550 1.00 0.00 C ATOM 1029 O LYS A 71 -6.345 -11.809 -1.424 1.00 0.00 O ATOM 1030 CB LYS A 71 -3.623 -13.537 -0.318 1.00 0.00 C ATOM 1031 CG LYS A 71 -4.456 -14.710 -0.825 1.00 0.00 C ATOM 1032 CD LYS A 71 -4.163 -16.005 -0.060 1.00 0.00 C ATOM 1033 CE LYS A 71 -2.711 -16.469 -0.200 1.00 0.00 C ATOM 1034 NZ LYS A 71 -2.369 -16.872 -1.583 1.00 0.00 N ATOM 0 H LYS A 71 -2.691 -11.321 0.423 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.938 -12.241 -2.005 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.573 -13.724 -0.544 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.711 -13.482 0.767 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.515 -14.468 -0.733 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.256 -14.864 -1.885 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.390 -15.856 0.996 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.826 -16.791 -0.421 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.045 -15.665 0.115 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.536 -17.309 0.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.380 -17.193 -1.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.995 -17.646 -1.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.491 -16.060 -2.221 1.00 0.00 H new ATOM 1048 N VAL A 72 -5.725 -11.688 0.747 1.00 0.00 N ATOM 1049 CA VAL A 72 -7.080 -11.516 1.299 1.00 0.00 C ATOM 1050 C VAL A 72 -7.848 -10.416 0.572 1.00 0.00 C ATOM 1051 O VAL A 72 -8.911 -10.658 0.014 1.00 0.00 O ATOM 1052 CB VAL A 72 -7.059 -11.215 2.832 1.00 0.00 C ATOM 1053 CG1 VAL A 72 -8.463 -11.069 3.388 1.00 0.00 C ATOM 1054 CG2 VAL A 72 -6.318 -12.295 3.595 1.00 0.00 C ATOM 0 H VAL A 72 -4.988 -11.637 1.451 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.592 -12.466 1.144 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.533 -10.269 2.962 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.411 -10.860 4.457 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.971 -10.248 2.882 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.017 -11.994 3.225 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.321 -12.056 4.659 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.810 -13.255 3.437 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.289 -12.352 3.239 1.00 0.00 H new ATOM 1064 N LEU A 73 -7.291 -9.232 0.544 1.00 0.00 N ATOM 1065 CA LEU A 73 -7.934 -8.122 -0.111 1.00 0.00 C ATOM 1066 C LEU A 73 -7.670 -8.131 -1.617 1.00 0.00 C ATOM 1067 O LEU A 73 -8.409 -7.501 -2.381 1.00 0.00 O ATOM 1068 CB LEU A 73 -7.443 -6.829 0.524 1.00 0.00 C ATOM 1069 CG LEU A 73 -8.046 -5.532 0.041 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -9.547 -5.571 0.221 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -7.456 -4.382 0.829 1.00 0.00 C ATOM 0 H LEU A 73 -6.390 -9.012 0.969 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.013 -8.206 0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.614 -6.898 1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.365 -6.772 0.376 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.822 -5.394 -1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.980 -4.634 -0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.961 -6.399 -0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.783 -5.709 1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.889 -3.444 0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.677 -4.515 1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.376 -4.358 0.684 1.00 0.00 H new ATOM 1083 N SER A 74 -6.651 -8.886 -2.024 1.00 0.00 N ATOM 1084 CA SER A 74 -6.204 -8.955 -3.402 1.00 0.00 C ATOM 1085 C SER A 74 -5.751 -7.580 -3.907 1.00 0.00 C ATOM 1086 O SER A 74 -6.511 -6.819 -4.525 1.00 0.00 O ATOM 1087 CB SER A 74 -7.247 -9.620 -4.304 1.00 0.00 C ATOM 1088 OG SER A 74 -7.555 -10.931 -3.807 1.00 0.00 O ATOM 0 H SER A 74 -6.109 -9.474 -1.391 1.00 0.00 H new ATOM 0 HA SER A 74 -5.326 -9.600 -3.442 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.151 -9.013 -4.339 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.869 -9.687 -5.324 1.00 0.00 H new ATOM 0 HG SER A 74 -7.011 -11.116 -3.013 1.00 0.00 H new ATOM 1094 N LEU A 75 -4.535 -7.248 -3.540 1.00 0.00 N ATOM 1095 CA LEU A 75 -3.921 -5.993 -3.875 1.00 0.00 C ATOM 1096 C LEU A 75 -3.269 -6.066 -5.250 1.00 0.00 C ATOM 1097 O LEU A 75 -3.367 -7.078 -5.961 1.00 0.00 O ATOM 1098 CB LEU A 75 -2.837 -5.666 -2.832 1.00 0.00 C ATOM 1099 CG LEU A 75 -3.282 -5.632 -1.373 1.00 0.00 C ATOM 1100 CD1 LEU A 75 -2.105 -5.380 -0.459 1.00 0.00 C ATOM 1101 CD2 LEU A 75 -4.340 -4.583 -1.160 1.00 0.00 C ATOM 0 H LEU A 75 -3.935 -7.860 -2.987 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.689 -5.220 -3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.039 -6.402 -2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.407 -4.696 -3.080 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.707 -6.606 -1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.446 -5.360 0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.371 -6.176 -0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.648 -4.422 -0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.641 -4.578 -0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.941 -3.605 -1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.205 -4.806 -1.785 1.00 0.00 H new ATOM 1113 N ALA A 76 -2.599 -5.005 -5.598 1.00 0.00 N ATOM 1114 CA ALA A 76 -1.859 -4.914 -6.825 1.00 0.00 C ATOM 1115 C ALA A 76 -0.483 -4.479 -6.499 1.00 0.00 C ATOM 1116 O ALA A 76 0.449 -4.901 -7.112 1.00 0.00 O ATOM 1117 CB ALA A 76 -2.479 -3.937 -7.789 1.00 0.00 C ATOM 0 H ALA A 76 -2.551 -4.162 -5.026 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.862 -5.891 -7.308 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -1.886 -3.901 -8.703 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.494 -4.256 -8.028 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.507 -2.946 -7.335 1.00 0.00 H new ATOM 1123 N ALA A 77 -0.362 -3.601 -5.518 1.00 0.00 N ATOM 1124 CA ALA A 77 0.917 -3.154 -5.084 1.00 0.00 C ATOM 1125 C ALA A 77 0.935 -2.885 -3.604 1.00 0.00 C ATOM 1126 O ALA A 77 -0.115 -2.687 -2.970 1.00 0.00 O ATOM 1127 CB ALA A 77 1.309 -1.919 -5.821 1.00 0.00 C ATOM 0 H ALA A 77 -1.149 -3.191 -5.015 1.00 0.00 H new ATOM 0 HA ALA A 77 1.633 -3.949 -5.295 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.290 -1.587 -5.480 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.349 -2.130 -6.890 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.575 -1.135 -5.634 1.00 0.00 H new ATOM 1133 N VAL A 78 2.116 -2.889 -3.069 1.00 0.00 N ATOM 1134 CA VAL A 78 2.365 -2.590 -1.672 1.00 0.00 C ATOM 1135 C VAL A 78 3.654 -1.749 -1.578 1.00 0.00 C ATOM 1136 O VAL A 78 4.583 -1.954 -2.348 1.00 0.00 O ATOM 1137 CB VAL A 78 2.506 -3.884 -0.837 1.00 0.00 C ATOM 1138 CG1 VAL A 78 3.652 -4.731 -1.381 1.00 0.00 C ATOM 1139 CG2 VAL A 78 2.709 -3.572 0.643 1.00 0.00 C ATOM 0 H VAL A 78 2.963 -3.104 -3.596 1.00 0.00 H new ATOM 0 HA VAL A 78 1.520 -2.033 -1.267 1.00 0.00 H new ATOM 0 HB VAL A 78 1.579 -4.452 -0.923 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.745 -5.641 -0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.449 -4.994 -2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.582 -4.164 -1.325 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.804 -4.503 1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.615 -2.979 0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.853 -3.011 1.017 1.00 0.00 H new ATOM 1149 N GLN A 79 3.654 -0.748 -0.737 1.00 0.00 N ATOM 1150 CA GLN A 79 4.732 0.171 -0.612 1.00 0.00 C ATOM 1151 C GLN A 79 5.592 -0.224 0.557 1.00 0.00 C ATOM 1152 O GLN A 79 5.199 -0.055 1.708 1.00 0.00 O ATOM 1153 CB GLN A 79 4.131 1.509 -0.351 1.00 0.00 C ATOM 1154 CG GLN A 79 3.020 1.890 -1.325 1.00 0.00 C ATOM 1155 CD GLN A 79 3.420 1.785 -2.771 1.00 0.00 C ATOM 1156 OE1 GLN A 79 3.298 0.588 -3.343 1.00 0.00 O flip ATOM 1157 NE2 GLN A 79 3.873 2.735 -3.352 1.00 0.00 N flip ATOM 0 H GLN A 79 2.877 -0.552 -0.106 1.00 0.00 H new ATOM 0 HA GLN A 79 5.346 0.182 -1.512 1.00 0.00 H new ATOM 0 HB2 GLN A 79 3.732 1.525 0.663 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.916 2.264 -0.397 1.00 0.00 H new ATOM 0 HG2 GLN A 79 2.158 1.247 -1.148 1.00 0.00 H new ATOM 0 HG3 GLN A 79 2.703 2.912 -1.118 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.949 3.634 -2.877 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.181 2.642 -4.320 1.00 0.00 H new ATOM 1166 N LEU A 80 6.718 -0.765 0.262 1.00 0.00 N ATOM 1167 CA LEU A 80 7.589 -1.315 1.239 1.00 0.00 C ATOM 1168 C LEU A 80 8.874 -0.548 1.267 1.00 0.00 C ATOM 1169 O LEU A 80 9.400 -0.192 0.211 1.00 0.00 O ATOM 1170 CB LEU A 80 7.821 -2.772 0.935 1.00 0.00 C ATOM 1171 CG LEU A 80 6.582 -3.649 0.990 1.00 0.00 C ATOM 1172 CD1 LEU A 80 6.893 -4.987 0.408 1.00 0.00 C ATOM 1173 CD2 LEU A 80 6.088 -3.799 2.426 1.00 0.00 C ATOM 0 H LEU A 80 7.070 -0.840 -0.692 1.00 0.00 H new ATOM 0 HA LEU A 80 7.136 -1.239 2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 80 8.261 -2.854 -0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.554 -3.162 1.641 1.00 0.00 H new ATOM 0 HG LEU A 80 5.790 -3.177 0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.004 -5.616 0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.208 -4.869 -0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.695 -5.455 0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.200 -4.431 2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.869 -4.256 3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.842 -2.817 2.830 1.00 0.00 H new ATOM 1185 N HIS A 81 9.383 -0.317 2.462 1.00 0.00 N ATOM 1186 CA HIS A 81 10.614 0.450 2.667 1.00 0.00 C ATOM 1187 C HIS A 81 10.876 0.633 4.153 1.00 0.00 C ATOM 1188 O HIS A 81 12.005 0.542 4.630 1.00 0.00 O ATOM 1189 CB HIS A 81 10.534 1.874 1.986 1.00 0.00 C ATOM 1190 CG HIS A 81 9.409 2.779 2.481 1.00 0.00 C ATOM 1191 ND1 HIS A 81 9.596 3.860 3.315 1.00 0.00 N ATOM 1192 CD2 HIS A 81 8.071 2.724 2.245 1.00 0.00 C ATOM 1193 CE1 HIS A 81 8.403 4.411 3.558 1.00 0.00 C ATOM 1194 NE2 HIS A 81 7.441 3.757 2.931 1.00 0.00 N ATOM 0 H HIS A 81 8.959 -0.654 3.326 1.00 0.00 H new ATOM 0 HA HIS A 81 11.426 -0.113 2.207 1.00 0.00 H new ATOM 0 HB2 HIS A 81 11.484 2.386 2.143 1.00 0.00 H new ATOM 0 HB3 HIS A 81 10.419 1.737 0.911 1.00 0.00 H new ATOM 0 HD2 HIS A 81 7.576 1.993 1.623 1.00 0.00 H new ATOM 0 HE1 HIS A 81 8.246 5.277 4.184 1.00 0.00 H new ATOM 0 HE2 HIS A 81 6.443 3.966 2.947 1.00 0.00 H new ATOM 1202 N GLY A 82 9.803 0.820 4.869 1.00 0.00 N ATOM 1203 CA GLY A 82 9.910 1.300 6.234 1.00 0.00 C ATOM 1204 C GLY A 82 10.383 0.364 7.351 1.00 0.00 C ATOM 1205 O GLY A 82 11.338 0.697 8.041 1.00 0.00 O ATOM 0 H GLY A 82 8.851 0.652 4.543 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.586 2.155 6.223 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.927 1.674 6.522 1.00 0.00 H new ATOM 1209 N ASN A 83 9.745 -0.779 7.549 1.00 0.00 N ATOM 1210 CA ASN A 83 9.969 -1.484 8.833 1.00 0.00 C ATOM 1211 C ASN A 83 11.212 -2.376 8.969 1.00 0.00 C ATOM 1212 O ASN A 83 12.134 -2.012 9.690 1.00 0.00 O ATOM 1213 CB ASN A 83 8.706 -2.206 9.324 1.00 0.00 C ATOM 1214 CG ASN A 83 8.843 -2.833 10.721 1.00 0.00 C ATOM 1215 OD1 ASN A 83 8.224 -3.848 11.011 1.00 0.00 O ATOM 1216 ND2 ASN A 83 9.596 -2.218 11.601 1.00 0.00 N ATOM 0 H ASN A 83 9.105 -1.228 6.894 1.00 0.00 H new ATOM 0 HA ASN A 83 10.207 -0.652 9.496 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.877 -1.498 9.335 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.447 -2.988 8.610 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.675 -2.584 12.550 1.00 0.00 H new ATOM 0 HD22 ASN A 83 10.103 -1.373 11.337 1.00 0.00 H new ATOM 1223 N GLU A 84 11.272 -3.496 8.275 1.00 0.00 N ATOM 1224 CA GLU A 84 12.332 -4.459 8.590 1.00 0.00 C ATOM 1225 C GLU A 84 13.706 -4.180 8.025 1.00 0.00 C ATOM 1226 O GLU A 84 14.685 -4.183 8.784 1.00 0.00 O ATOM 1227 CB GLU A 84 11.908 -5.896 8.303 1.00 0.00 C ATOM 1228 CG GLU A 84 11.367 -6.615 9.521 1.00 0.00 C ATOM 1229 CD GLU A 84 12.431 -6.734 10.595 1.00 0.00 C ATOM 1230 OE1 GLU A 84 13.339 -7.582 10.455 1.00 0.00 O ATOM 1231 OE2 GLU A 84 12.415 -5.948 11.562 1.00 0.00 O ATOM 0 H GLU A 84 10.637 -3.763 7.523 1.00 0.00 H new ATOM 0 HA GLU A 84 12.459 -4.320 9.664 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.147 -5.894 7.523 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.763 -6.449 7.913 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.506 -6.075 9.915 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.018 -7.608 9.237 1.00 0.00 H new ATOM 1238 N GLU A 85 13.802 -3.890 6.752 1.00 0.00 N ATOM 1239 CA GLU A 85 15.095 -3.735 6.126 1.00 0.00 C ATOM 1240 C GLU A 85 14.903 -3.353 4.673 1.00 0.00 C ATOM 1241 O GLU A 85 13.786 -3.394 4.160 1.00 0.00 O ATOM 1242 CB GLU A 85 15.857 -5.080 6.188 1.00 0.00 C ATOM 1243 CG GLU A 85 17.301 -4.953 6.645 1.00 0.00 C ATOM 1244 CD GLU A 85 18.071 -3.988 5.811 1.00 0.00 C ATOM 1245 OE1 GLU A 85 18.406 -4.329 4.663 1.00 0.00 O ATOM 1246 OE2 GLU A 85 18.241 -2.836 6.227 1.00 0.00 O ATOM 0 H GLU A 85 13.005 -3.757 6.129 1.00 0.00 H new ATOM 0 HA GLU A 85 15.660 -2.961 6.645 1.00 0.00 H new ATOM 0 HB2 GLU A 85 15.331 -5.753 6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 85 15.839 -5.542 5.201 1.00 0.00 H new ATOM 0 HG2 GLU A 85 17.324 -4.631 7.686 1.00 0.00 H new ATOM 0 HG3 GLU A 85 17.781 -5.931 6.603 1.00 0.00 H new ATOM 1253 N GLN A 86 15.994 -3.023 4.033 1.00 0.00 N ATOM 1254 CA GLN A 86 16.069 -2.706 2.652 1.00 0.00 C ATOM 1255 C GLN A 86 16.044 -4.013 1.890 1.00 0.00 C ATOM 1256 O GLN A 86 15.312 -4.196 0.910 1.00 0.00 O ATOM 1257 CB GLN A 86 17.392 -1.992 2.423 1.00 0.00 C ATOM 1258 CG GLN A 86 17.523 -0.673 3.182 1.00 0.00 C ATOM 1259 CD GLN A 86 18.909 -0.055 3.084 1.00 0.00 C ATOM 1260 OE1 GLN A 86 19.927 -0.874 3.040 1.00 0.00 O flip ATOM 1261 NE2 GLN A 86 19.057 1.164 3.106 1.00 0.00 N flip ATOM 0 H GLN A 86 16.900 -2.969 4.499 1.00 0.00 H new ATOM 0 HA GLN A 86 15.246 -2.071 2.324 1.00 0.00 H new ATOM 0 HB2 GLN A 86 18.206 -2.653 2.720 1.00 0.00 H new ATOM 0 HB3 GLN A 86 17.510 -1.800 1.357 1.00 0.00 H new ATOM 0 HG2 GLN A 86 16.790 0.035 2.795 1.00 0.00 H new ATOM 0 HG3 GLN A 86 17.281 -0.841 4.232 1.00 0.00 H new ATOM 0 HE21 GLN A 86 18.242 1.776 3.140 1.00 0.00 H new ATOM 0 HE22 GLN A 86 19.995 1.564 3.090 1.00 0.00 H new ATOM 1270 N LEU A 87 16.817 -4.945 2.406 1.00 0.00 N ATOM 1271 CA LEU A 87 16.959 -6.286 1.859 1.00 0.00 C ATOM 1272 C LEU A 87 15.706 -7.111 2.088 1.00 0.00 C ATOM 1273 O LEU A 87 15.524 -8.163 1.487 1.00 0.00 O ATOM 1274 CB LEU A 87 18.138 -6.962 2.506 1.00 0.00 C ATOM 1275 CG LEU A 87 19.464 -6.272 2.282 1.00 0.00 C ATOM 1276 CD1 LEU A 87 20.509 -6.819 3.219 1.00 0.00 C ATOM 1277 CD2 LEU A 87 19.912 -6.411 0.836 1.00 0.00 C ATOM 0 H LEU A 87 17.382 -4.790 3.241 1.00 0.00 H new ATOM 0 HA LEU A 87 17.116 -6.206 0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 87 17.956 -7.031 3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 87 18.207 -7.982 2.128 1.00 0.00 H new ATOM 0 HG LEU A 87 19.335 -5.210 2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 87 21.457 -6.311 3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 87 20.195 -6.655 4.250 1.00 0.00 H new ATOM 0 HD13 LEU A 87 20.632 -7.888 3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 87 20.868 -5.906 0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 87 20.021 -7.467 0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 87 19.168 -5.960 0.180 1.00 0.00 H new ATOM 1289 N TYR A 88 14.856 -6.622 2.961 1.00 0.00 N ATOM 1290 CA TYR A 88 13.587 -7.248 3.251 1.00 0.00 C ATOM 1291 C TYR A 88 12.689 -7.201 2.019 1.00 0.00 C ATOM 1292 O TYR A 88 12.052 -8.184 1.666 1.00 0.00 O ATOM 1293 CB TYR A 88 12.940 -6.558 4.459 1.00 0.00 C ATOM 1294 CG TYR A 88 11.503 -6.925 4.732 1.00 0.00 C ATOM 1295 CD1 TYR A 88 11.116 -8.244 4.925 1.00 0.00 C ATOM 1296 CD2 TYR A 88 10.530 -5.935 4.801 1.00 0.00 C ATOM 1297 CE1 TYR A 88 9.802 -8.567 5.182 1.00 0.00 C ATOM 1298 CE2 TYR A 88 9.215 -6.248 5.059 1.00 0.00 C ATOM 1299 CZ TYR A 88 8.854 -7.561 5.252 1.00 0.00 C ATOM 1300 OH TYR A 88 7.548 -7.872 5.503 1.00 0.00 O ATOM 0 H TYR A 88 15.028 -5.770 3.495 1.00 0.00 H new ATOM 0 HA TYR A 88 13.738 -8.297 3.505 1.00 0.00 H new ATOM 0 HB2 TYR A 88 13.530 -6.791 5.346 1.00 0.00 H new ATOM 0 HB3 TYR A 88 12.998 -5.480 4.312 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.856 -9.029 4.873 1.00 0.00 H new ATOM 0 HD2 TYR A 88 10.811 -4.903 4.650 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.514 -9.598 5.328 1.00 0.00 H new ATOM 0 HE2 TYR A 88 8.471 -5.467 5.110 1.00 0.00 H new ATOM 0 HH TYR A 88 7.454 -8.165 6.434 1.00 0.00 H new ATOM 1310 N ILE A 89 12.723 -6.082 1.327 1.00 0.00 N ATOM 1311 CA ILE A 89 11.918 -5.857 0.122 1.00 0.00 C ATOM 1312 C ILE A 89 12.321 -6.847 -0.968 1.00 0.00 C ATOM 1313 O ILE A 89 11.491 -7.331 -1.741 1.00 0.00 O ATOM 1314 CB ILE A 89 12.058 -4.367 -0.376 1.00 0.00 C ATOM 1315 CG1 ILE A 89 11.229 -3.391 0.481 1.00 0.00 C ATOM 1316 CG2 ILE A 89 11.673 -4.211 -1.838 1.00 0.00 C ATOM 1317 CD1 ILE A 89 11.598 -3.298 1.943 1.00 0.00 C ATOM 0 H ILE A 89 13.313 -5.289 1.579 1.00 0.00 H new ATOM 0 HA ILE A 89 10.868 -6.023 0.364 1.00 0.00 H new ATOM 0 HB ILE A 89 13.113 -4.117 -0.268 1.00 0.00 H new ATOM 0 HG12 ILE A 89 11.314 -2.396 0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 89 10.181 -3.681 0.411 1.00 0.00 H new ATOM 0 HG21 ILE A 89 11.786 -3.168 -2.135 1.00 0.00 H new ATOM 0 HG22 ILE A 89 12.321 -4.835 -2.453 1.00 0.00 H new ATOM 0 HG23 ILE A 89 10.636 -4.517 -1.976 1.00 0.00 H new ATOM 0 HD11 ILE A 89 10.944 -2.580 2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 89 11.483 -4.276 2.410 1.00 0.00 H new ATOM 0 HD13 ILE A 89 12.633 -2.971 2.037 1.00 0.00 H new ATOM 1329 N ASP A 90 13.577 -7.217 -0.923 1.00 0.00 N ATOM 1330 CA ASP A 90 14.196 -8.151 -1.856 1.00 0.00 C ATOM 1331 C ASP A 90 13.616 -9.559 -1.664 1.00 0.00 C ATOM 1332 O ASP A 90 13.601 -10.387 -2.558 1.00 0.00 O ATOM 1333 CB ASP A 90 15.695 -8.149 -1.571 1.00 0.00 C ATOM 1334 CG ASP A 90 16.515 -9.001 -2.497 1.00 0.00 C ATOM 1335 OD1 ASP A 90 16.865 -8.512 -3.587 1.00 0.00 O ATOM 1336 OD2 ASP A 90 16.883 -10.146 -2.119 1.00 0.00 O ATOM 0 H ASP A 90 14.225 -6.870 -0.216 1.00 0.00 H new ATOM 0 HA ASP A 90 14.001 -7.853 -2.886 1.00 0.00 H new ATOM 0 HB2 ASP A 90 16.059 -7.123 -1.626 1.00 0.00 H new ATOM 0 HB3 ASP A 90 15.856 -8.490 -0.548 1.00 0.00 H new ATOM 1341 N THR A 91 13.097 -9.761 -0.506 1.00 0.00 N ATOM 1342 CA THR A 91 12.564 -10.999 -0.062 1.00 0.00 C ATOM 1343 C THR A 91 11.069 -11.096 -0.419 1.00 0.00 C ATOM 1344 O THR A 91 10.596 -12.131 -0.912 1.00 0.00 O ATOM 1345 CB THR A 91 12.808 -11.086 1.452 1.00 0.00 C ATOM 1346 OG1 THR A 91 14.223 -10.982 1.709 1.00 0.00 O ATOM 1347 CG2 THR A 91 12.269 -12.356 2.013 1.00 0.00 C ATOM 0 H THR A 91 13.029 -9.025 0.197 1.00 0.00 H new ATOM 0 HA THR A 91 13.052 -11.840 -0.555 1.00 0.00 H new ATOM 0 HB THR A 91 12.285 -10.264 1.941 1.00 0.00 H new ATOM 0 HG1 THR A 91 14.507 -10.050 1.605 1.00 0.00 H new ATOM 0 HG21 THR A 91 12.457 -12.388 3.086 1.00 0.00 H new ATOM 0 HG22 THR A 91 11.196 -12.408 1.831 1.00 0.00 H new ATOM 0 HG23 THR A 91 12.760 -13.203 1.533 1.00 0.00 H new ATOM 1355 N LEU A 92 10.340 -10.006 -0.165 1.00 0.00 N ATOM 1356 CA LEU A 92 8.903 -9.903 -0.489 1.00 0.00 C ATOM 1357 C LEU A 92 8.541 -10.341 -1.880 1.00 0.00 C ATOM 1358 O LEU A 92 7.603 -11.109 -2.031 1.00 0.00 O ATOM 1359 CB LEU A 92 8.302 -8.508 -0.288 1.00 0.00 C ATOM 1360 CG LEU A 92 7.913 -8.089 1.113 1.00 0.00 C ATOM 1361 CD1 LEU A 92 7.089 -9.131 1.793 1.00 0.00 C ATOM 1362 CD2 LEU A 92 9.091 -7.731 1.912 1.00 0.00 C ATOM 0 H LEU A 92 10.723 -9.167 0.271 1.00 0.00 H new ATOM 0 HA LEU A 92 8.475 -10.595 0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.019 -7.779 -0.666 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.414 -8.435 -0.915 1.00 0.00 H new ATOM 0 HG LEU A 92 7.294 -7.197 1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.830 -8.793 2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.177 -9.304 1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.657 -10.059 1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.776 -7.435 2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.758 -8.590 1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.615 -6.902 1.436 1.00 0.00 H new ATOM 1374 N ARG A 93 9.299 -9.895 -2.906 1.00 0.00 N ATOM 1375 CA ARG A 93 8.887 -10.201 -4.326 1.00 0.00 C ATOM 1376 C ARG A 93 8.827 -11.698 -4.566 1.00 0.00 C ATOM 1377 O ARG A 93 8.142 -12.170 -5.456 1.00 0.00 O ATOM 1378 CB ARG A 93 9.827 -9.665 -5.414 1.00 0.00 C ATOM 1379 CG ARG A 93 10.196 -8.213 -5.379 1.00 0.00 C ATOM 1380 CD ARG A 93 11.550 -8.052 -4.752 1.00 0.00 C ATOM 1381 NE ARG A 93 12.556 -8.900 -5.453 1.00 0.00 N ATOM 1382 CZ ARG A 93 13.886 -8.829 -5.338 1.00 0.00 C ATOM 1383 NH1 ARG A 93 14.470 -7.730 -4.867 1.00 0.00 N ATOM 1384 NH2 ARG A 93 14.636 -9.820 -5.806 1.00 0.00 N ATOM 0 H ARG A 93 10.156 -9.350 -2.807 1.00 0.00 H new ATOM 0 HA ARG A 93 7.920 -9.704 -4.410 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.750 -10.244 -5.372 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.367 -9.868 -6.381 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.201 -7.804 -6.390 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.453 -7.652 -4.812 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.855 -7.006 -4.795 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.504 -8.328 -3.699 1.00 0.00 H new ATOM 0 HE ARG A 93 12.191 -9.610 -6.088 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.902 -6.930 -4.589 1.00 0.00 H new ATOM 0 HH12 ARG A 93 15.486 -7.688 -4.784 1.00 0.00 H new ATOM 0 HH21 ARG A 93 14.196 -10.627 -6.249 1.00 0.00 H new ATOM 0 HH22 ARG A 93 15.652 -9.774 -5.723 1.00 0.00 H new ATOM 1398 N GLU A 94 9.567 -12.418 -3.775 1.00 0.00 N ATOM 1399 CA GLU A 94 9.692 -13.847 -3.948 1.00 0.00 C ATOM 1400 C GLU A 94 8.493 -14.573 -3.362 1.00 0.00 C ATOM 1401 O GLU A 94 8.037 -15.582 -3.897 1.00 0.00 O ATOM 1402 CB GLU A 94 10.967 -14.314 -3.294 1.00 0.00 C ATOM 1403 CG GLU A 94 12.162 -13.482 -3.698 1.00 0.00 C ATOM 1404 CD GLU A 94 13.451 -14.012 -3.169 1.00 0.00 C ATOM 1405 OE1 GLU A 94 13.734 -13.849 -1.960 1.00 0.00 O ATOM 1406 OE2 GLU A 94 14.214 -14.604 -3.954 1.00 0.00 O ATOM 0 H GLU A 94 10.101 -12.039 -2.993 1.00 0.00 H new ATOM 0 HA GLU A 94 9.726 -14.075 -5.013 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.851 -14.276 -2.211 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.147 -15.356 -3.559 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.214 -13.437 -4.786 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.023 -12.461 -3.343 1.00 0.00 H new ATOM 1413 N ALA A 95 7.965 -14.040 -2.282 1.00 0.00 N ATOM 1414 CA ALA A 95 6.827 -14.667 -1.619 1.00 0.00 C ATOM 1415 C ALA A 95 5.516 -14.154 -2.170 1.00 0.00 C ATOM 1416 O ALA A 95 4.474 -14.800 -2.073 1.00 0.00 O ATOM 1417 CB ALA A 95 6.904 -14.505 -0.120 1.00 0.00 C ATOM 0 H ALA A 95 8.297 -13.182 -1.842 1.00 0.00 H new ATOM 0 HA ALA A 95 6.871 -15.735 -1.831 1.00 0.00 H new ATOM 0 HB1 ALA A 95 6.041 -14.984 0.343 1.00 0.00 H new ATOM 0 HB2 ALA A 95 7.818 -14.970 0.250 1.00 0.00 H new ATOM 0 HB3 ALA A 95 6.909 -13.444 0.132 1.00 0.00 H new ATOM 1423 N LEU A 96 5.583 -13.016 -2.743 1.00 0.00 N ATOM 1424 CA LEU A 96 4.441 -12.396 -3.374 1.00 0.00 C ATOM 1425 C LEU A 96 4.365 -12.865 -4.803 1.00 0.00 C ATOM 1426 O LEU A 96 5.397 -13.048 -5.446 1.00 0.00 O ATOM 1427 CB LEU A 96 4.556 -10.862 -3.339 1.00 0.00 C ATOM 1428 CG LEU A 96 4.539 -10.204 -1.957 1.00 0.00 C ATOM 1429 CD1 LEU A 96 4.746 -8.704 -2.084 1.00 0.00 C ATOM 1430 CD2 LEU A 96 3.227 -10.491 -1.242 1.00 0.00 C ATOM 0 H LEU A 96 6.438 -12.463 -2.799 1.00 0.00 H new ATOM 0 HA LEU A 96 3.539 -12.680 -2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.482 -10.578 -3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.736 -10.446 -3.925 1.00 0.00 H new ATOM 0 HG LEU A 96 5.354 -10.624 -1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.732 -8.250 -1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.707 -8.508 -2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.948 -8.277 -2.691 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.235 -10.015 -0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.398 -10.097 -1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.106 -11.568 -1.121 1.00 0.00 H new ATOM 1442 N PRO A 97 3.169 -13.137 -5.317 1.00 0.00 N ATOM 1443 CA PRO A 97 3.016 -13.475 -6.708 1.00 0.00 C ATOM 1444 C PRO A 97 3.244 -12.233 -7.546 1.00 0.00 C ATOM 1445 O PRO A 97 3.162 -11.113 -7.036 1.00 0.00 O ATOM 1446 CB PRO A 97 1.563 -13.928 -6.824 1.00 0.00 C ATOM 1447 CG PRO A 97 0.869 -13.251 -5.702 1.00 0.00 C ATOM 1448 CD PRO A 97 1.882 -13.143 -4.595 1.00 0.00 C ATOM 0 HA PRO A 97 3.716 -14.238 -7.048 1.00 0.00 H new ATOM 0 HB2 PRO A 97 1.134 -13.643 -7.785 1.00 0.00 H new ATOM 0 HB3 PRO A 97 1.478 -15.012 -6.746 1.00 0.00 H new ATOM 0 HG2 PRO A 97 0.511 -12.266 -6.002 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.002 -13.822 -5.380 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.744 -12.234 -4.010 1.00 0.00 H new ATOM 0 HD3 PRO A 97 1.813 -13.982 -3.902 1.00 0.00 H new ATOM 1456 N ALA A 98 3.443 -12.409 -8.819 1.00 0.00 N ATOM 1457 CA ALA A 98 3.731 -11.300 -9.722 1.00 0.00 C ATOM 1458 C ALA A 98 2.485 -10.465 -10.003 1.00 0.00 C ATOM 1459 O ALA A 98 2.501 -9.543 -10.809 1.00 0.00 O ATOM 1460 CB ALA A 98 4.330 -11.815 -11.006 1.00 0.00 C ATOM 0 H ALA A 98 3.413 -13.321 -9.275 1.00 0.00 H new ATOM 0 HA ALA A 98 4.455 -10.649 -9.232 1.00 0.00 H new ATOM 0 HB1 ALA A 98 4.540 -10.977 -11.671 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.256 -12.346 -10.788 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.627 -12.494 -11.489 1.00 0.00 H new ATOM 1466 N HIS A 99 1.408 -10.812 -9.348 1.00 0.00 N ATOM 1467 CA HIS A 99 0.172 -10.078 -9.446 1.00 0.00 C ATOM 1468 C HIS A 99 0.211 -8.947 -8.440 1.00 0.00 C ATOM 1469 O HIS A 99 -0.455 -7.930 -8.606 1.00 0.00 O ATOM 1470 CB HIS A 99 -1.034 -10.991 -9.176 1.00 0.00 C ATOM 1471 CG HIS A 99 -1.094 -12.174 -10.067 1.00 0.00 C ATOM 1472 ND1 HIS A 99 -1.389 -13.449 -9.647 1.00 0.00 N ATOM 1473 CD2 HIS A 99 -0.855 -12.254 -11.368 1.00 0.00 C ATOM 1474 CE1 HIS A 99 -1.310 -14.256 -10.699 1.00 0.00 C ATOM 1475 NE2 HIS A 99 -0.986 -13.574 -11.787 1.00 0.00 N ATOM 0 H HIS A 99 1.363 -11.619 -8.726 1.00 0.00 H new ATOM 0 HA HIS A 99 0.062 -9.682 -10.455 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -0.999 -11.328 -8.140 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -1.950 -10.412 -9.292 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -0.598 -11.421 -12.006 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -1.486 -15.321 -10.671 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -0.859 -13.939 -12.731 1.00 0.00 H new ATOM 1483 N VAL A 100 1.008 -9.134 -7.399 1.00 0.00 N ATOM 1484 CA VAL A 100 1.197 -8.172 -6.404 1.00 0.00 C ATOM 1485 C VAL A 100 2.562 -7.563 -6.632 1.00 0.00 C ATOM 1486 O VAL A 100 3.542 -8.278 -6.854 1.00 0.00 O ATOM 1487 CB VAL A 100 1.140 -8.836 -5.022 1.00 0.00 C ATOM 1488 CG1 VAL A 100 1.375 -7.821 -3.953 1.00 0.00 C ATOM 1489 CG2 VAL A 100 -0.191 -9.535 -4.819 1.00 0.00 C ATOM 0 H VAL A 100 1.540 -9.991 -7.249 1.00 0.00 H new ATOM 0 HA VAL A 100 0.421 -7.408 -6.444 1.00 0.00 H new ATOM 0 HB VAL A 100 1.927 -9.588 -4.963 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.332 -8.304 -2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.357 -7.368 -4.091 1.00 0.00 H new ATOM 0 HG13 VAL A 100 0.608 -7.049 -4.010 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.211 -9.999 -3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.999 -8.808 -4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.320 -10.301 -5.584 1.00 0.00 H new ATOM 1499 N ALA A 101 2.619 -6.289 -6.618 1.00 0.00 N ATOM 1500 CA ALA A 101 3.834 -5.595 -6.888 1.00 0.00 C ATOM 1501 C ALA A 101 4.263 -4.822 -5.677 1.00 0.00 C ATOM 1502 O ALA A 101 3.513 -4.695 -4.708 1.00 0.00 O ATOM 1503 CB ALA A 101 3.642 -4.673 -8.076 1.00 0.00 C ATOM 0 H ALA A 101 1.822 -5.684 -6.418 1.00 0.00 H new ATOM 0 HA ALA A 101 4.617 -6.314 -7.129 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.573 -4.144 -8.280 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.359 -5.260 -8.950 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.856 -3.952 -7.853 1.00 0.00 H new ATOM 1509 N ILE A 102 5.432 -4.290 -5.730 1.00 0.00 N ATOM 1510 CA ILE A 102 5.978 -3.541 -4.662 1.00 0.00 C ATOM 1511 C ILE A 102 6.357 -2.202 -5.201 1.00 0.00 C ATOM 1512 O ILE A 102 6.958 -2.131 -6.250 1.00 0.00 O ATOM 1513 CB ILE A 102 7.275 -4.169 -4.119 1.00 0.00 C ATOM 1514 CG1 ILE A 102 7.066 -5.595 -3.559 1.00 0.00 C ATOM 1515 CG2 ILE A 102 7.894 -3.220 -3.119 1.00 0.00 C ATOM 1516 CD1 ILE A 102 8.330 -6.239 -3.024 1.00 0.00 C ATOM 0 H ILE A 102 6.048 -4.367 -6.539 1.00 0.00 H new ATOM 0 HA ILE A 102 5.236 -3.499 -3.864 1.00 0.00 H new ATOM 0 HB ILE A 102 7.973 -4.309 -4.944 1.00 0.00 H new ATOM 0 HG12 ILE A 102 6.325 -5.556 -2.761 1.00 0.00 H new ATOM 0 HG13 ILE A 102 6.654 -6.227 -4.346 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.814 -3.654 -2.727 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.119 -2.272 -3.608 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.196 -3.049 -2.300 1.00 0.00 H new ATOM 0 HD11 ILE A 102 8.100 -7.236 -2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 102 9.067 -6.313 -3.823 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.733 -5.631 -2.214 1.00 0.00 H new ATOM 1528 N TRP A 103 6.017 -1.152 -4.536 1.00 0.00 N ATOM 1529 CA TRP A 103 6.502 0.126 -4.989 1.00 0.00 C ATOM 1530 C TRP A 103 7.302 0.775 -3.901 1.00 0.00 C ATOM 1531 O TRP A 103 7.121 0.467 -2.710 1.00 0.00 O ATOM 1532 CB TRP A 103 5.404 1.080 -5.429 1.00 0.00 C ATOM 1533 CG TRP A 103 4.442 0.571 -6.476 1.00 0.00 C ATOM 1534 CD1 TRP A 103 4.626 -0.447 -7.355 1.00 0.00 C ATOM 1535 CD2 TRP A 103 3.149 1.098 -6.752 1.00 0.00 C ATOM 1536 NE1 TRP A 103 3.518 -0.600 -8.134 1.00 0.00 N ATOM 1537 CE2 TRP A 103 2.600 0.346 -7.793 1.00 0.00 C ATOM 1538 CE3 TRP A 103 2.405 2.127 -6.206 1.00 0.00 C ATOM 1539 CZ2 TRP A 103 1.332 0.597 -8.308 1.00 0.00 C ATOM 1540 CZ3 TRP A 103 1.149 2.388 -6.712 1.00 0.00 C ATOM 1541 CH2 TRP A 103 0.624 1.622 -7.755 1.00 0.00 C ATOM 0 H TRP A 103 5.427 -1.138 -3.704 1.00 0.00 H new ATOM 0 HA TRP A 103 7.116 -0.077 -5.867 1.00 0.00 H new ATOM 0 HB2 TRP A 103 4.829 1.366 -4.548 1.00 0.00 H new ATOM 0 HB3 TRP A 103 5.874 1.987 -5.811 1.00 0.00 H new ATOM 0 HD1 TRP A 103 5.520 -1.048 -7.427 1.00 0.00 H new ATOM 0 HE1 TRP A 103 3.396 -1.309 -8.857 1.00 0.00 H new ATOM 0 HE3 TRP A 103 2.802 2.719 -5.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 0.925 0.004 -9.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 0.564 3.195 -6.296 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -0.363 1.846 -8.131 1.00 0.00 H new ATOM 1552 N LYS A 104 8.185 1.643 -4.287 1.00 0.00 N ATOM 1553 CA LYS A 104 8.950 2.377 -3.351 1.00 0.00 C ATOM 1554 C LYS A 104 8.418 3.768 -3.216 1.00 0.00 C ATOM 1555 O LYS A 104 8.274 4.502 -4.208 1.00 0.00 O ATOM 1556 CB LYS A 104 10.454 2.424 -3.683 1.00 0.00 C ATOM 1557 CG LYS A 104 11.189 3.469 -2.841 1.00 0.00 C ATOM 1558 CD LYS A 104 12.680 3.496 -3.048 1.00 0.00 C ATOM 1559 CE LYS A 104 13.285 4.736 -2.378 1.00 0.00 C ATOM 1560 NZ LYS A 104 12.814 4.939 -0.970 1.00 0.00 N ATOM 0 H LYS A 104 8.389 1.857 -5.263 1.00 0.00 H new ATOM 0 HA LYS A 104 8.855 1.846 -2.404 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.895 1.442 -3.510 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.586 2.651 -4.741 1.00 0.00 H new ATOM 0 HG2 LYS A 104 10.784 4.454 -3.072 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.984 3.279 -1.787 1.00 0.00 H new ATOM 0 HD2 LYS A 104 13.129 2.594 -2.632 1.00 0.00 H new ATOM 0 HD3 LYS A 104 12.906 3.503 -4.114 1.00 0.00 H new ATOM 0 HE2 LYS A 104 14.371 4.648 -2.381 1.00 0.00 H new ATOM 0 HE3 LYS A 104 13.035 5.618 -2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 13.434 5.624 -0.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.839 5.301 -0.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 12.842 4.033 -0.461 1.00 0.00 H new ATOM 1574 N ALA A 105 8.089 4.100 -2.010 1.00 0.00 N ATOM 1575 CA ALA A 105 7.762 5.448 -1.663 1.00 0.00 C ATOM 1576 C ALA A 105 9.054 6.267 -1.734 1.00 0.00 C ATOM 1577 O ALA A 105 10.048 5.973 -1.031 1.00 0.00 O ATOM 1578 CB ALA A 105 7.166 5.496 -0.269 1.00 0.00 C ATOM 0 H ALA A 105 8.039 3.442 -1.233 1.00 0.00 H new ATOM 0 HA ALA A 105 7.021 5.858 -2.350 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.920 6.527 -0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.261 4.889 -0.239 1.00 0.00 H new ATOM 0 HB3 ALA A 105 7.888 5.107 0.449 1.00 0.00 H new ATOM 1584 N LEU A 106 9.087 7.189 -2.640 1.00 0.00 N ATOM 1585 CA LEU A 106 10.219 8.026 -2.852 1.00 0.00 C ATOM 1586 C LEU A 106 10.019 9.320 -2.093 1.00 0.00 C ATOM 1587 O LEU A 106 9.141 10.124 -2.445 1.00 0.00 O ATOM 1588 CB LEU A 106 10.339 8.332 -4.345 1.00 0.00 C ATOM 1589 CG LEU A 106 11.633 9.000 -4.810 1.00 0.00 C ATOM 1590 CD1 LEU A 106 12.770 7.997 -4.808 1.00 0.00 C ATOM 1591 CD2 LEU A 106 11.460 9.627 -6.184 1.00 0.00 C ATOM 0 H LEU A 106 8.307 7.385 -3.268 1.00 0.00 H new ATOM 0 HA LEU A 106 11.124 7.528 -2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 106 10.223 7.397 -4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 106 9.505 8.974 -4.628 1.00 0.00 H new ATOM 0 HG LEU A 106 11.878 9.800 -4.112 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.686 8.485 -5.141 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.911 7.609 -3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.531 7.175 -5.482 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.395 10.095 -6.491 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.187 8.856 -6.904 1.00 0.00 H new ATOM 0 HD23 LEU A 106 10.673 10.380 -6.144 1.00 0.00 H new ATOM 1603 N SER A 107 10.766 9.503 -1.039 1.00 0.00 N ATOM 1604 CA SER A 107 10.706 10.730 -0.304 1.00 0.00 C ATOM 1605 C SER A 107 11.394 11.806 -1.132 1.00 0.00 C ATOM 1606 O SER A 107 12.451 11.554 -1.727 1.00 0.00 O ATOM 1607 CB SER A 107 11.400 10.559 1.045 1.00 0.00 C ATOM 1608 OG SER A 107 10.899 9.411 1.740 1.00 0.00 O ATOM 0 H SER A 107 11.423 8.815 -0.672 1.00 0.00 H new ATOM 0 HA SER A 107 9.671 11.016 -0.114 1.00 0.00 H new ATOM 0 HB2 SER A 107 12.475 10.457 0.894 1.00 0.00 H new ATOM 0 HB3 SER A 107 11.247 11.451 1.652 1.00 0.00 H new ATOM 0 HG SER A 107 11.360 9.322 2.600 1.00 0.00 H new ATOM 1614 N VAL A 108 10.786 12.963 -1.215 1.00 0.00 N ATOM 1615 CA VAL A 108 11.342 14.043 -2.001 1.00 0.00 C ATOM 1616 C VAL A 108 12.606 14.594 -1.363 1.00 0.00 C ATOM 1617 O VAL A 108 12.819 14.458 -0.149 1.00 0.00 O ATOM 1618 CB VAL A 108 10.323 15.181 -2.246 1.00 0.00 C ATOM 1619 CG1 VAL A 108 9.165 14.674 -3.083 1.00 0.00 C ATOM 1620 CG2 VAL A 108 9.823 15.777 -0.935 1.00 0.00 C ATOM 0 H VAL A 108 9.906 13.184 -0.749 1.00 0.00 H new ATOM 0 HA VAL A 108 11.597 13.619 -2.972 1.00 0.00 H new ATOM 0 HB VAL A 108 10.830 15.976 -2.792 1.00 0.00 H new ATOM 0 HG11 VAL A 108 8.454 15.484 -3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 108 9.539 14.317 -4.043 1.00 0.00 H new ATOM 0 HG13 VAL A 108 8.668 13.857 -2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 108 9.109 16.573 -1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 108 9.337 15.001 -0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 108 10.665 16.184 -0.376 1.00 0.00 H new ATOM 1630 N GLY A 109 13.446 15.173 -2.170 1.00 0.00 N ATOM 1631 CA GLY A 109 14.649 15.728 -1.671 1.00 0.00 C ATOM 1632 C GLY A 109 15.704 15.807 -2.727 1.00 0.00 C ATOM 1633 O GLY A 109 15.429 15.612 -3.917 1.00 0.00 O ATOM 0 H GLY A 109 13.311 15.268 -3.177 1.00 0.00 H new ATOM 0 HA2 GLY A 109 14.453 16.725 -1.277 1.00 0.00 H new ATOM 0 HA3 GLY A 109 15.011 15.123 -0.840 1.00 0.00 H new ATOM 1637 N GLU A 110 16.890 16.071 -2.306 1.00 0.00 N ATOM 1638 CA GLU A 110 18.028 16.225 -3.177 1.00 0.00 C ATOM 1639 C GLU A 110 18.840 14.926 -3.214 1.00 0.00 C ATOM 1640 O GLU A 110 19.376 14.527 -4.257 1.00 0.00 O ATOM 1641 CB GLU A 110 18.902 17.429 -2.707 1.00 0.00 C ATOM 1642 CG GLU A 110 19.594 17.280 -1.331 1.00 0.00 C ATOM 1643 CD GLU A 110 18.643 17.002 -0.183 1.00 0.00 C ATOM 1644 OE1 GLU A 110 18.121 17.937 0.420 1.00 0.00 O ATOM 1645 OE2 GLU A 110 18.364 15.815 0.096 1.00 0.00 O ATOM 0 H GLU A 110 17.114 16.192 -1.318 1.00 0.00 H new ATOM 0 HA GLU A 110 17.683 16.435 -4.189 1.00 0.00 H new ATOM 0 HB2 GLU A 110 19.671 17.607 -3.459 1.00 0.00 H new ATOM 0 HB3 GLU A 110 18.272 18.318 -2.678 1.00 0.00 H new ATOM 0 HG2 GLU A 110 20.322 16.471 -1.389 1.00 0.00 H new ATOM 0 HG3 GLU A 110 20.149 18.193 -1.115 1.00 0.00 H new ATOM 1652 N THR A 111 18.915 14.276 -2.084 1.00 0.00 N ATOM 1653 CA THR A 111 19.650 13.059 -1.942 1.00 0.00 C ATOM 1654 C THR A 111 18.836 11.854 -2.414 1.00 0.00 C ATOM 1655 O THR A 111 17.998 11.318 -1.688 1.00 0.00 O ATOM 1656 CB THR A 111 20.160 12.886 -0.483 1.00 0.00 C ATOM 1657 OG1 THR A 111 19.139 13.317 0.459 1.00 0.00 O ATOM 1658 CG2 THR A 111 21.435 13.690 -0.255 1.00 0.00 C ATOM 0 H THR A 111 18.458 14.586 -1.226 1.00 0.00 H new ATOM 0 HA THR A 111 20.526 13.117 -2.588 1.00 0.00 H new ATOM 0 HB THR A 111 20.379 11.830 -0.324 1.00 0.00 H new ATOM 0 HG1 THR A 111 19.143 14.295 0.521 1.00 0.00 H new ATOM 0 HG21 THR A 111 21.773 13.553 0.772 1.00 0.00 H new ATOM 0 HG22 THR A 111 22.210 13.346 -0.940 1.00 0.00 H new ATOM 0 HG23 THR A 111 21.236 14.747 -0.434 1.00 0.00 H new ATOM 1666 N LEU A 112 19.047 11.486 -3.652 1.00 0.00 N ATOM 1667 CA LEU A 112 18.364 10.366 -4.245 1.00 0.00 C ATOM 1668 C LEU A 112 19.092 9.084 -3.883 1.00 0.00 C ATOM 1669 O LEU A 112 20.327 9.061 -3.872 1.00 0.00 O ATOM 1670 CB LEU A 112 18.311 10.520 -5.770 1.00 0.00 C ATOM 1671 CG LEU A 112 17.584 11.757 -6.299 1.00 0.00 C ATOM 1672 CD1 LEU A 112 17.631 11.785 -7.817 1.00 0.00 C ATOM 1673 CD2 LEU A 112 16.141 11.788 -5.809 1.00 0.00 C ATOM 0 H LEU A 112 19.700 11.957 -4.279 1.00 0.00 H new ATOM 0 HA LEU A 112 17.344 10.328 -3.863 1.00 0.00 H new ATOM 0 HB2 LEU A 112 19.333 10.535 -6.148 1.00 0.00 H new ATOM 0 HB3 LEU A 112 17.830 9.635 -6.187 1.00 0.00 H new ATOM 0 HG LEU A 112 18.091 12.643 -5.917 1.00 0.00 H new ATOM 0 HD11 LEU A 112 17.110 12.671 -8.181 1.00 0.00 H new ATOM 0 HD12 LEU A 112 18.669 11.813 -8.148 1.00 0.00 H new ATOM 0 HD13 LEU A 112 17.148 10.892 -8.213 1.00 0.00 H new ATOM 0 HD21 LEU A 112 15.644 12.677 -6.198 1.00 0.00 H new ATOM 0 HD22 LEU A 112 15.619 10.898 -6.159 1.00 0.00 H new ATOM 0 HD23 LEU A 112 16.127 11.812 -4.719 1.00 0.00 H new ATOM 1685 N PRO A 113 18.361 8.011 -3.584 1.00 0.00 N ATOM 1686 CA PRO A 113 18.961 6.725 -3.233 1.00 0.00 C ATOM 1687 C PRO A 113 19.692 6.084 -4.417 1.00 0.00 C ATOM 1688 O PRO A 113 19.280 6.229 -5.581 1.00 0.00 O ATOM 1689 CB PRO A 113 17.767 5.861 -2.838 1.00 0.00 C ATOM 1690 CG PRO A 113 16.597 6.490 -3.512 1.00 0.00 C ATOM 1691 CD PRO A 113 16.887 7.959 -3.555 1.00 0.00 C ATOM 0 HA PRO A 113 19.708 6.834 -2.446 1.00 0.00 H new ATOM 0 HB2 PRO A 113 17.902 4.829 -3.162 1.00 0.00 H new ATOM 0 HB3 PRO A 113 17.635 5.840 -1.756 1.00 0.00 H new ATOM 0 HG2 PRO A 113 16.463 6.089 -4.517 1.00 0.00 H new ATOM 0 HG3 PRO A 113 15.676 6.290 -2.964 1.00 0.00 H new ATOM 0 HD2 PRO A 113 16.450 8.430 -4.436 1.00 0.00 H new ATOM 0 HD3 PRO A 113 16.483 8.475 -2.684 1.00 0.00 H new ATOM 1699 N ALA A 114 20.778 5.416 -4.140 1.00 0.00 N ATOM 1700 CA ALA A 114 21.511 4.735 -5.176 1.00 0.00 C ATOM 1701 C ALA A 114 20.873 3.381 -5.400 1.00 0.00 C ATOM 1702 O ALA A 114 20.577 2.995 -6.535 1.00 0.00 O ATOM 1703 CB ALA A 114 22.977 4.592 -4.793 1.00 0.00 C ATOM 0 H ALA A 114 21.177 5.328 -3.205 1.00 0.00 H new ATOM 0 HA ALA A 114 21.474 5.314 -6.099 1.00 0.00 H new ATOM 0 HB1 ALA A 114 23.512 4.075 -5.589 1.00 0.00 H new ATOM 0 HB2 ALA A 114 23.413 5.580 -4.645 1.00 0.00 H new ATOM 0 HB3 ALA A 114 23.058 4.018 -3.870 1.00 0.00 H new ATOM 1709 N ARG A 115 20.592 2.714 -4.304 1.00 0.00 N ATOM 1710 CA ARG A 115 19.958 1.416 -4.275 1.00 0.00 C ATOM 1711 C ARG A 115 19.826 0.998 -2.845 1.00 0.00 C ATOM 1712 O ARG A 115 20.823 0.884 -2.101 1.00 0.00 O ATOM 1713 CB ARG A 115 20.693 0.321 -5.084 1.00 0.00 C ATOM 1714 CG ARG A 115 22.102 -0.015 -4.625 1.00 0.00 C ATOM 1715 CD ARG A 115 22.658 -1.214 -5.359 1.00 0.00 C ATOM 1716 NE ARG A 115 23.982 -1.603 -4.846 1.00 0.00 N ATOM 1717 CZ ARG A 115 24.402 -2.866 -4.662 1.00 0.00 C ATOM 1718 NH1 ARG A 115 23.606 -3.885 -4.956 1.00 0.00 N ATOM 1719 NH2 ARG A 115 25.622 -3.100 -4.188 1.00 0.00 N ATOM 0 H ARG A 115 20.807 3.074 -3.374 1.00 0.00 H new ATOM 0 HA ARG A 115 18.988 1.520 -4.761 1.00 0.00 H new ATOM 0 HB2 ARG A 115 20.095 -0.590 -5.051 1.00 0.00 H new ATOM 0 HB3 ARG A 115 20.737 0.636 -6.127 1.00 0.00 H new ATOM 0 HG2 ARG A 115 22.752 0.845 -4.787 1.00 0.00 H new ATOM 0 HG3 ARG A 115 22.098 -0.214 -3.553 1.00 0.00 H new ATOM 0 HD2 ARG A 115 21.969 -2.053 -5.260 1.00 0.00 H new ATOM 0 HD3 ARG A 115 22.733 -0.987 -6.422 1.00 0.00 H new ATOM 0 HE ARG A 115 24.633 -0.853 -4.611 1.00 0.00 H new ATOM 0 HH11 ARG A 115 22.670 -3.712 -5.324 1.00 0.00 H new ATOM 0 HH12 ARG A 115 23.929 -4.842 -4.815 1.00 0.00 H new ATOM 0 HH21 ARG A 115 26.240 -2.320 -3.964 1.00 0.00 H new ATOM 0 HH22 ARG A 115 25.940 -4.059 -4.049 1.00 0.00 H new ATOM 1733 N GLU A 116 18.627 0.818 -2.444 1.00 0.00 N ATOM 1734 CA GLU A 116 18.326 0.469 -1.088 1.00 0.00 C ATOM 1735 C GLU A 116 17.328 -0.667 -1.163 1.00 0.00 C ATOM 1736 O GLU A 116 17.584 -1.796 -0.745 1.00 0.00 O ATOM 1737 CB GLU A 116 17.639 1.655 -0.360 1.00 0.00 C ATOM 1738 CG GLU A 116 18.030 3.075 -0.809 1.00 0.00 C ATOM 1739 CD GLU A 116 19.472 3.481 -0.558 1.00 0.00 C ATOM 1740 OE1 GLU A 116 19.870 3.613 0.622 1.00 0.00 O ATOM 1741 OE2 GLU A 116 20.218 3.739 -1.535 1.00 0.00 O ATOM 0 H GLU A 116 17.808 0.907 -3.046 1.00 0.00 H new ATOM 0 HA GLU A 116 19.237 0.206 -0.550 1.00 0.00 H new ATOM 0 HB2 GLU A 116 16.561 1.547 -0.480 1.00 0.00 H new ATOM 0 HB3 GLU A 116 17.851 1.567 0.705 1.00 0.00 H new ATOM 0 HG2 GLU A 116 17.829 3.165 -1.877 1.00 0.00 H new ATOM 0 HG3 GLU A 116 17.380 3.787 -0.301 1.00 0.00 H new ATOM 1748 N PHE A 117 16.210 -0.351 -1.774 1.00 0.00 N ATOM 1749 CA PHE A 117 15.105 -1.248 -1.946 1.00 0.00 C ATOM 1750 C PHE A 117 15.032 -1.565 -3.418 1.00 0.00 C ATOM 1751 O PHE A 117 14.677 -0.697 -4.217 1.00 0.00 O ATOM 1752 CB PHE A 117 13.806 -0.546 -1.508 1.00 0.00 C ATOM 1753 CG PHE A 117 13.919 0.139 -0.172 1.00 0.00 C ATOM 1754 CD1 PHE A 117 13.891 -0.588 0.986 1.00 0.00 C ATOM 1755 CD2 PHE A 117 14.082 1.516 -0.092 1.00 0.00 C ATOM 1756 CE1 PHE A 117 14.019 0.032 2.212 1.00 0.00 C ATOM 1757 CE2 PHE A 117 14.214 2.143 1.126 1.00 0.00 C ATOM 1758 CZ PHE A 117 14.181 1.400 2.281 1.00 0.00 C ATOM 0 H PHE A 117 16.045 0.571 -2.177 1.00 0.00 H new ATOM 0 HA PHE A 117 15.231 -2.153 -1.352 1.00 0.00 H new ATOM 0 HB2 PHE A 117 13.527 0.189 -2.263 1.00 0.00 H new ATOM 0 HB3 PHE A 117 13.001 -1.280 -1.465 1.00 0.00 H new ATOM 0 HD1 PHE A 117 13.767 -1.660 0.940 1.00 0.00 H new ATOM 0 HD2 PHE A 117 14.105 2.103 -0.998 1.00 0.00 H new ATOM 0 HE1 PHE A 117 13.992 -0.554 3.119 1.00 0.00 H new ATOM 0 HE2 PHE A 117 14.343 3.214 1.174 1.00 0.00 H new ATOM 0 HZ PHE A 117 14.282 1.886 3.240 1.00 0.00 H new ATOM 1768 N GLN A 118 15.419 -2.750 -3.795 1.00 0.00 N ATOM 1769 CA GLN A 118 15.449 -3.075 -5.196 1.00 0.00 C ATOM 1770 C GLN A 118 14.437 -4.048 -5.663 1.00 0.00 C ATOM 1771 O GLN A 118 13.899 -4.872 -4.900 1.00 0.00 O ATOM 1772 CB GLN A 118 16.817 -3.421 -5.721 1.00 0.00 C ATOM 1773 CG GLN A 118 17.595 -2.212 -6.130 1.00 0.00 C ATOM 1774 CD GLN A 118 18.928 -2.564 -6.712 1.00 0.00 C ATOM 1775 OE1 GLN A 118 19.913 -2.689 -5.999 1.00 0.00 O ATOM 1776 NE2 GLN A 118 18.978 -2.716 -8.002 1.00 0.00 N ATOM 0 H GLN A 118 15.714 -3.497 -3.166 1.00 0.00 H new ATOM 0 HA GLN A 118 15.156 -2.124 -5.641 1.00 0.00 H new ATOM 0 HB2 GLN A 118 17.371 -3.963 -4.954 1.00 0.00 H new ATOM 0 HB3 GLN A 118 16.716 -4.091 -6.575 1.00 0.00 H new ATOM 0 HG2 GLN A 118 17.021 -1.643 -6.861 1.00 0.00 H new ATOM 0 HG3 GLN A 118 17.738 -1.565 -5.265 1.00 0.00 H new ATOM 0 HE21 GLN A 118 18.133 -2.603 -8.562 1.00 0.00 H new ATOM 0 HE22 GLN A 118 19.862 -2.948 -8.454 1.00 0.00 H new ATOM 1785 N HIS A 119 14.207 -3.933 -6.953 1.00 0.00 N ATOM 1786 CA HIS A 119 13.262 -4.694 -7.712 1.00 0.00 C ATOM 1787 C HIS A 119 11.854 -4.332 -7.341 1.00 0.00 C ATOM 1788 O HIS A 119 10.932 -5.160 -7.342 1.00 0.00 O ATOM 1789 CB HIS A 119 13.548 -6.202 -7.747 1.00 0.00 C ATOM 1790 CG HIS A 119 14.727 -6.544 -8.616 1.00 0.00 C ATOM 1791 ND1 HIS A 119 15.801 -7.308 -8.218 1.00 0.00 N ATOM 1792 CD2 HIS A 119 14.975 -6.202 -9.906 1.00 0.00 C ATOM 1793 CE1 HIS A 119 16.645 -7.404 -9.246 1.00 0.00 C ATOM 1794 NE2 HIS A 119 16.191 -6.746 -10.302 1.00 0.00 N ATOM 0 H HIS A 119 14.712 -3.259 -7.529 1.00 0.00 H new ATOM 0 HA HIS A 119 13.389 -4.405 -8.755 1.00 0.00 H new ATOM 0 HB2 HIS A 119 13.733 -6.557 -6.733 1.00 0.00 H new ATOM 0 HB3 HIS A 119 12.666 -6.728 -8.113 1.00 0.00 H new ATOM 0 HD2 HIS A 119 14.328 -5.601 -10.528 1.00 0.00 H new ATOM 0 HE1 HIS A 119 17.578 -7.948 -9.221 1.00 0.00 H new ATOM 0 HE2 HIS A 119 16.639 -6.657 -11.214 1.00 0.00 H new ATOM 1802 N VAL A 120 11.703 -3.065 -7.018 1.00 0.00 N ATOM 1803 CA VAL A 120 10.420 -2.499 -6.804 1.00 0.00 C ATOM 1804 C VAL A 120 9.822 -2.266 -8.174 1.00 0.00 C ATOM 1805 O VAL A 120 10.536 -1.901 -9.127 1.00 0.00 O ATOM 1806 CB VAL A 120 10.468 -1.179 -5.965 1.00 0.00 C ATOM 1807 CG1 VAL A 120 11.056 -1.453 -4.586 1.00 0.00 C ATOM 1808 CG2 VAL A 120 11.261 -0.078 -6.670 1.00 0.00 C ATOM 0 H VAL A 120 12.477 -2.411 -6.900 1.00 0.00 H new ATOM 0 HA VAL A 120 9.807 -3.179 -6.213 1.00 0.00 H new ATOM 0 HB VAL A 120 9.443 -0.823 -5.857 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.084 -0.527 -4.012 1.00 0.00 H new ATOM 0 HG12 VAL A 120 10.437 -2.184 -4.065 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.068 -1.844 -4.693 1.00 0.00 H new ATOM 0 HG21 VAL A 120 11.267 0.819 -6.051 1.00 0.00 H new ATOM 0 HG22 VAL A 120 12.285 -0.414 -6.832 1.00 0.00 H new ATOM 0 HG23 VAL A 120 10.797 0.147 -7.630 1.00 0.00 H new ATOM 1818 N ASP A 121 8.563 -2.492 -8.284 1.00 0.00 N ATOM 1819 CA ASP A 121 7.888 -2.469 -9.588 1.00 0.00 C ATOM 1820 C ASP A 121 7.773 -1.053 -10.120 1.00 0.00 C ATOM 1821 O ASP A 121 8.038 -0.784 -11.298 1.00 0.00 O ATOM 1822 CB ASP A 121 6.501 -3.099 -9.483 1.00 0.00 C ATOM 1823 CG ASP A 121 5.832 -3.313 -10.824 1.00 0.00 C ATOM 1824 OD1 ASP A 121 5.122 -2.417 -11.302 1.00 0.00 O ATOM 1825 OD2 ASP A 121 5.990 -4.409 -11.405 1.00 0.00 O ATOM 0 H ASP A 121 7.950 -2.700 -7.495 1.00 0.00 H new ATOM 0 HA ASP A 121 8.491 -3.050 -10.285 1.00 0.00 H new ATOM 0 HB2 ASP A 121 6.584 -4.057 -8.970 1.00 0.00 H new ATOM 0 HB3 ASP A 121 5.867 -2.462 -8.867 1.00 0.00 H new ATOM 1830 N LYS A 122 7.418 -0.151 -9.243 1.00 0.00 N ATOM 1831 CA LYS A 122 7.221 1.254 -9.567 1.00 0.00 C ATOM 1832 C LYS A 122 7.670 2.076 -8.379 1.00 0.00 C ATOM 1833 O LYS A 122 7.880 1.530 -7.293 1.00 0.00 O ATOM 1834 CB LYS A 122 5.728 1.572 -9.878 1.00 0.00 C ATOM 1835 CG LYS A 122 5.138 0.834 -11.076 1.00 0.00 C ATOM 1836 CD LYS A 122 3.672 1.188 -11.279 1.00 0.00 C ATOM 1837 CE LYS A 122 3.028 0.357 -12.389 1.00 0.00 C ATOM 1838 NZ LYS A 122 3.624 0.596 -13.718 1.00 0.00 N ATOM 0 H LYS A 122 7.252 -0.368 -8.260 1.00 0.00 H new ATOM 0 HA LYS A 122 7.801 1.494 -10.458 1.00 0.00 H new ATOM 0 HB2 LYS A 122 5.132 1.334 -8.997 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.630 2.644 -10.049 1.00 0.00 H new ATOM 0 HG2 LYS A 122 5.702 1.085 -11.974 1.00 0.00 H new ATOM 0 HG3 LYS A 122 5.237 -0.241 -10.928 1.00 0.00 H new ATOM 0 HD2 LYS A 122 3.129 1.030 -10.347 1.00 0.00 H new ATOM 0 HD3 LYS A 122 3.586 2.247 -11.523 1.00 0.00 H new ATOM 0 HE2 LYS A 122 3.121 -0.701 -12.142 1.00 0.00 H new ATOM 0 HE3 LYS A 122 1.962 0.583 -12.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 3.133 0.016 -14.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 3.528 1.602 -13.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 4.631 0.339 -13.698 1.00 0.00 H new ATOM 1852 N TYR A 123 7.892 3.339 -8.576 1.00 0.00 N ATOM 1853 CA TYR A 123 8.194 4.214 -7.479 1.00 0.00 C ATOM 1854 C TYR A 123 7.190 5.350 -7.515 1.00 0.00 C ATOM 1855 O TYR A 123 6.776 5.778 -8.598 1.00 0.00 O ATOM 1856 CB TYR A 123 9.659 4.727 -7.512 1.00 0.00 C ATOM 1857 CG TYR A 123 9.935 5.724 -8.582 1.00 0.00 C ATOM 1858 CD1 TYR A 123 10.263 5.335 -9.862 1.00 0.00 C ATOM 1859 CD2 TYR A 123 9.841 7.068 -8.306 1.00 0.00 C ATOM 1860 CE1 TYR A 123 10.491 6.264 -10.837 1.00 0.00 C ATOM 1861 CE2 TYR A 123 10.065 8.002 -9.260 1.00 0.00 C ATOM 1862 CZ TYR A 123 10.391 7.608 -10.535 1.00 0.00 C ATOM 1863 OH TYR A 123 10.610 8.559 -11.515 1.00 0.00 O ATOM 0 H TYR A 123 7.870 3.791 -9.490 1.00 0.00 H new ATOM 0 HA TYR A 123 8.111 3.668 -6.539 1.00 0.00 H new ATOM 0 HB2 TYR A 123 9.897 5.173 -6.546 1.00 0.00 H new ATOM 0 HB3 TYR A 123 10.327 3.876 -7.644 1.00 0.00 H new ATOM 0 HD1 TYR A 123 10.341 4.284 -10.097 1.00 0.00 H new ATOM 0 HD2 TYR A 123 9.583 7.385 -7.306 1.00 0.00 H new ATOM 0 HE1 TYR A 123 10.748 5.950 -11.838 1.00 0.00 H new ATOM 0 HE2 TYR A 123 9.988 9.052 -9.020 1.00 0.00 H new ATOM 0 HH TYR A 123 10.498 9.454 -11.133 1.00 0.00 H new ATOM 1873 N VAL A 124 6.776 5.801 -6.371 1.00 0.00 N ATOM 1874 CA VAL A 124 5.794 6.868 -6.261 1.00 0.00 C ATOM 1875 C VAL A 124 6.275 7.853 -5.224 1.00 0.00 C ATOM 1876 O VAL A 124 7.281 7.605 -4.581 1.00 0.00 O ATOM 1877 CB VAL A 124 4.381 6.337 -5.854 1.00 0.00 C ATOM 1878 CG1 VAL A 124 3.804 5.413 -6.921 1.00 0.00 C ATOM 1879 CG2 VAL A 124 4.437 5.622 -4.508 1.00 0.00 C ATOM 0 H VAL A 124 7.104 5.445 -5.473 1.00 0.00 H new ATOM 0 HA VAL A 124 5.693 7.340 -7.239 1.00 0.00 H new ATOM 0 HB VAL A 124 3.721 7.200 -5.763 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.821 5.062 -6.606 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.711 5.956 -7.861 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.467 4.559 -7.060 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.442 5.261 -4.246 1.00 0.00 H new ATOM 0 HG22 VAL A 124 5.124 4.778 -4.573 1.00 0.00 H new ATOM 0 HG23 VAL A 124 4.785 6.315 -3.742 1.00 0.00 H new ATOM 1889 N LEU A 125 5.576 8.949 -5.053 1.00 0.00 N ATOM 1890 CA LEU A 125 5.965 9.926 -4.060 1.00 0.00 C ATOM 1891 C LEU A 125 5.590 9.457 -2.658 1.00 0.00 C ATOM 1892 O LEU A 125 4.592 8.754 -2.476 1.00 0.00 O ATOM 1893 CB LEU A 125 5.424 11.353 -4.403 1.00 0.00 C ATOM 1894 CG LEU A 125 3.901 11.537 -4.660 1.00 0.00 C ATOM 1895 CD1 LEU A 125 3.070 11.433 -3.385 1.00 0.00 C ATOM 1896 CD2 LEU A 125 3.641 12.864 -5.357 1.00 0.00 C ATOM 0 H LEU A 125 4.739 9.188 -5.584 1.00 0.00 H new ATOM 0 HA LEU A 125 7.051 10.015 -4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 125 5.703 12.017 -3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 125 5.953 11.702 -5.290 1.00 0.00 H new ATOM 0 HG LEU A 125 3.587 10.719 -5.308 1.00 0.00 H new ATOM 0 HD11 LEU A 125 2.016 11.569 -3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 125 3.215 10.451 -2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 125 3.384 12.204 -2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 125 2.571 12.980 -5.531 1.00 0.00 H new ATOM 0 HD22 LEU A 125 3.997 13.681 -4.729 1.00 0.00 H new ATOM 0 HD23 LEU A 125 4.168 12.883 -6.311 1.00 0.00 H new ATOM 1908 N ASP A 126 6.419 9.785 -1.700 1.00 0.00 N ATOM 1909 CA ASP A 126 6.188 9.406 -0.316 1.00 0.00 C ATOM 1910 C ASP A 126 5.025 10.199 0.260 1.00 0.00 C ATOM 1911 O ASP A 126 4.913 11.418 0.038 1.00 0.00 O ATOM 1912 CB ASP A 126 7.457 9.621 0.516 1.00 0.00 C ATOM 1913 CG ASP A 126 7.333 9.142 1.942 1.00 0.00 C ATOM 1914 OD1 ASP A 126 7.360 7.919 2.177 1.00 0.00 O ATOM 1915 OD2 ASP A 126 7.229 9.971 2.855 1.00 0.00 O ATOM 0 H ASP A 126 7.274 10.321 -1.850 1.00 0.00 H new ATOM 0 HA ASP A 126 5.933 8.347 -0.281 1.00 0.00 H new ATOM 0 HB2 ASP A 126 8.287 9.101 0.038 1.00 0.00 H new ATOM 0 HB3 ASP A 126 7.704 10.683 0.518 1.00 0.00 H new ATOM 1920 N ASN A 127 4.143 9.512 0.963 1.00 0.00 N ATOM 1921 CA ASN A 127 2.977 10.114 1.550 1.00 0.00 C ATOM 1922 C ASN A 127 3.361 11.071 2.672 1.00 0.00 C ATOM 1923 O ASN A 127 2.721 12.115 2.862 1.00 0.00 O ATOM 1924 CB ASN A 127 2.054 9.017 2.074 1.00 0.00 C ATOM 1925 CG ASN A 127 0.735 9.549 2.560 1.00 0.00 C ATOM 1926 OD1 ASN A 127 0.559 9.867 3.739 1.00 0.00 O ATOM 1927 ND2 ASN A 127 -0.198 9.654 1.666 1.00 0.00 N ATOM 0 H ASN A 127 4.224 8.511 1.140 1.00 0.00 H new ATOM 0 HA ASN A 127 2.456 10.693 0.787 1.00 0.00 H new ATOM 0 HB2 ASN A 127 1.877 8.288 1.283 1.00 0.00 H new ATOM 0 HB3 ASN A 127 2.550 8.489 2.888 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -1.117 10.010 1.928 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -0.013 9.380 0.701 1.00 0.00 H new ATOM 1934 N GLY A 128 4.410 10.727 3.391 1.00 0.00 N ATOM 1935 CA GLY A 128 4.880 11.549 4.471 1.00 0.00 C ATOM 1936 C GLY A 128 5.584 12.781 3.955 1.00 0.00 C ATOM 1937 O GLY A 128 5.103 13.900 4.135 1.00 0.00 O ATOM 0 H GLY A 128 4.952 9.876 3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 128 4.039 11.844 5.099 1.00 0.00 H new ATOM 0 HA3 GLY A 128 5.561 10.974 5.099 1.00 0.00 H new ATOM 1941 N GLN A 129 6.686 12.585 3.274 1.00 0.00 N ATOM 1942 CA GLN A 129 7.440 13.692 2.747 1.00 0.00 C ATOM 1943 C GLN A 129 7.420 13.685 1.228 1.00 0.00 C ATOM 1944 O GLN A 129 8.273 13.067 0.567 1.00 0.00 O ATOM 1945 CB GLN A 129 8.877 13.723 3.280 1.00 0.00 C ATOM 1946 CG GLN A 129 9.666 14.953 2.821 1.00 0.00 C ATOM 1947 CD GLN A 129 11.103 14.967 3.300 1.00 0.00 C ATOM 1948 OE1 GLN A 129 11.354 14.406 4.446 1.00 0.00 O flip ATOM 1949 NE2 GLN A 129 11.980 15.498 2.639 1.00 0.00 N flip ATOM 0 H GLN A 129 7.080 11.666 3.072 1.00 0.00 H new ATOM 0 HA GLN A 129 6.955 14.605 3.093 1.00 0.00 H new ATOM 0 HB2 GLN A 129 8.854 13.700 4.370 1.00 0.00 H new ATOM 0 HB3 GLN A 129 9.398 12.823 2.954 1.00 0.00 H new ATOM 0 HG2 GLN A 129 9.655 14.996 1.732 1.00 0.00 H new ATOM 0 HG3 GLN A 129 9.164 15.851 3.180 1.00 0.00 H new ATOM 0 HE21 GLN A 129 11.753 15.930 1.743 1.00 0.00 H new ATOM 0 HE22 GLN A 129 12.941 15.510 2.982 1.00 0.00 H new ATOM 1958 N GLY A 130 6.416 14.312 0.692 1.00 0.00 N ATOM 1959 CA GLY A 130 6.289 14.449 -0.732 1.00 0.00 C ATOM 1960 C GLY A 130 5.998 15.883 -1.113 1.00 0.00 C ATOM 1961 O GLY A 130 6.326 16.331 -2.224 1.00 0.00 O ATOM 0 H GLY A 130 5.662 14.743 1.227 1.00 0.00 H new ATOM 0 HA2 GLY A 130 7.208 14.119 -1.216 1.00 0.00 H new ATOM 0 HA3 GLY A 130 5.489 13.803 -1.093 1.00 0.00 H new ATOM 1965 N GLY A 131 5.376 16.598 -0.205 1.00 0.00 N ATOM 1966 CA GLY A 131 5.037 17.973 -0.419 1.00 0.00 C ATOM 1967 C GLY A 131 3.577 18.192 -0.160 1.00 0.00 C ATOM 1968 O GLY A 131 3.193 18.805 0.829 1.00 0.00 O ATOM 0 H GLY A 131 5.092 16.235 0.705 1.00 0.00 H new ATOM 0 HA2 GLY A 131 5.630 18.608 0.239 1.00 0.00 H new ATOM 0 HA3 GLY A 131 5.279 18.260 -1.442 1.00 0.00 H new ATOM 1972 N ALA A 132 2.765 17.662 -1.026 1.00 0.00 N ATOM 1973 CA ALA A 132 1.324 17.759 -0.895 1.00 0.00 C ATOM 1974 C ALA A 132 0.664 16.632 -1.657 1.00 0.00 C ATOM 1975 O ALA A 132 -0.430 16.185 -1.315 1.00 0.00 O ATOM 1976 CB ALA A 132 0.821 19.107 -1.395 1.00 0.00 C ATOM 0 H ALA A 132 3.075 17.146 -1.850 1.00 0.00 H new ATOM 0 HA ALA A 132 1.064 17.676 0.160 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -0.262 19.154 -1.286 1.00 0.00 H new ATOM 0 HB2 ALA A 132 1.280 19.906 -0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 132 1.085 19.227 -2.446 1.00 0.00 H new ATOM 1982 N GLY A 133 1.334 16.173 -2.690 1.00 0.00 N ATOM 1983 CA GLY A 133 0.824 15.093 -3.475 1.00 0.00 C ATOM 1984 C GLY A 133 -0.262 15.574 -4.388 1.00 0.00 C ATOM 1985 O GLY A 133 -1.327 14.971 -4.468 1.00 0.00 O ATOM 0 H GLY A 133 2.235 16.538 -2.999 1.00 0.00 H new ATOM 0 HA2 GLY A 133 1.629 14.649 -4.061 1.00 0.00 H new ATOM 0 HA3 GLY A 133 0.438 14.311 -2.821 1.00 0.00 H new ATOM 1989 N SER A 134 -0.033 16.706 -5.001 1.00 0.00 N ATOM 1990 CA SER A 134 -0.954 17.274 -5.943 1.00 0.00 C ATOM 1991 C SER A 134 -0.152 17.999 -7.027 1.00 0.00 C ATOM 1992 O SER A 134 0.296 17.333 -7.982 1.00 0.00 O ATOM 1993 CB SER A 134 -1.927 18.224 -5.215 1.00 0.00 C ATOM 1994 OG SER A 134 -2.637 17.518 -4.183 1.00 0.00 O ATOM 0 H SER A 134 0.809 17.264 -4.857 1.00 0.00 H new ATOM 0 HA SER A 134 -1.554 16.496 -6.415 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.375 19.058 -4.781 1.00 0.00 H new ATOM 0 HB3 SER A 134 -2.634 18.647 -5.928 1.00 0.00 H new ATOM 0 HG SER A 134 -3.250 18.133 -3.728 1.00 0.00 H new TER 2000 SER A 134