USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 666 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 38 THR OG1 : rot -86:sc= 1.33 USER MOD Set 1.2: A 39 LYS NZ :NH3+ -109:sc= 0.541 (180deg=0) USER MOD Set 2.1: A 35 CYS SG : rot -149:sc= 0.672 USER MOD Set 2.2: A 71 THR OG1 : rot 147:sc= 0.824 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 162:sc= 0 (180deg=-0.281) USER MOD Single : A 2 ASN : amide:sc= -0.253 X(o=-0.25,f=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot -74:sc= 0.299 USER MOD Single : A 16 GLN : amide:sc= -2.05! K(o=-2.1!,f=-1.4) USER MOD Single : A 17 LYS NZ :NH3+ -174:sc= -0.131 (180deg=-0.145) USER MOD Single : A 18 ASN : amide:sc= 0.205 X(o=0.21,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0197 X(o=-0.02,f=-0.12) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 158:sc= 0.24 (180deg=0.117) USER MOD Single : A 45 MET CE :methyl -157:sc= -1.7 (180deg=-2.43!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.719 X(o=-0.72,f=-0.56) USER MOD Single : A 51 ASN : amide:sc= -0.528 K(o=-0.53,f=-2.5!) USER MOD Single : A 53 THR OG1 : rot -150:sc= 0.276 USER MOD Single : A 58 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.65) USER MOD Single : A 60 MET CE :methyl -104:sc= 0 (180deg=-1.49) USER MOD Single : A 69 SER OG : rot -81:sc= 0.749 USER MOD Single : A 80 MET CE :methyl -173:sc= -1.45 (180deg=-1.53) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 31:sc= 0.286 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.484 -5.698 -15.207 1.00 0.00 N ATOM 2 CA MET A 1 15.815 -6.638 -16.158 1.00 0.00 C ATOM 3 C MET A 1 14.295 -6.479 -16.057 1.00 0.00 C ATOM 4 O MET A 1 13.607 -7.284 -15.424 1.00 0.00 O ATOM 5 CB MET A 1 16.219 -8.090 -15.839 1.00 0.00 C ATOM 6 CG MET A 1 16.120 -8.358 -14.332 1.00 0.00 C ATOM 7 SD MET A 1 16.000 -10.140 -14.040 1.00 0.00 S ATOM 8 CE MET A 1 17.775 -10.487 -13.965 1.00 0.00 C ATOM 0 H1 MET A 1 17.465 -6.005 -15.048 1.00 0.00 H new ATOM 0 H2 MET A 1 16.482 -4.739 -15.608 1.00 0.00 H new ATOM 0 H3 MET A 1 15.971 -5.696 -14.302 1.00 0.00 H new ATOM 0 HA MET A 1 16.131 -6.403 -17.174 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.572 -8.781 -16.380 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.238 -8.273 -16.181 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.994 -7.954 -13.822 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.248 -7.852 -13.919 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.931 -11.551 -13.788 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.241 -10.204 -14.909 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.224 -9.915 -13.153 1.00 0.00 H new ATOM 20 N ASN A 2 13.780 -5.426 -16.695 1.00 0.00 N ATOM 21 CA ASN A 2 12.340 -5.163 -16.679 1.00 0.00 C ATOM 22 C ASN A 2 11.635 -5.960 -17.775 1.00 0.00 C ATOM 23 O ASN A 2 12.199 -6.205 -18.845 1.00 0.00 O ATOM 24 CB ASN A 2 12.053 -3.673 -16.882 1.00 0.00 C ATOM 25 CG ASN A 2 12.567 -2.884 -15.679 1.00 0.00 C ATOM 26 OD1 ASN A 2 13.308 -1.914 -15.837 1.00 0.00 O ATOM 27 ND2 ASN A 2 12.215 -3.247 -14.474 1.00 0.00 N ATOM 0 H ASN A 2 14.331 -4.749 -17.223 1.00 0.00 H new ATOM 0 HA ASN A 2 11.961 -5.471 -15.704 1.00 0.00 H new ATOM 0 HB2 ASN A 2 12.535 -3.320 -17.794 1.00 0.00 H new ATOM 0 HB3 ASN A 2 10.982 -3.512 -17.005 1.00 0.00 H new ATOM 0 HD21 ASN A 2 12.554 -2.727 -13.665 1.00 0.00 H new ATOM 0 HD22 ASN A 2 11.601 -4.051 -14.342 1.00 0.00 H new ATOM 34 N ASP A 3 10.396 -6.359 -17.492 1.00 0.00 N ATOM 35 CA ASP A 3 9.605 -7.135 -18.451 1.00 0.00 C ATOM 36 C ASP A 3 8.133 -7.182 -18.041 1.00 0.00 C ATOM 37 O ASP A 3 7.242 -7.067 -18.885 1.00 0.00 O ATOM 38 CB ASP A 3 10.139 -8.568 -18.555 1.00 0.00 C ATOM 39 CG ASP A 3 10.170 -8.997 -20.018 1.00 0.00 C ATOM 40 OD1 ASP A 3 11.162 -8.721 -20.675 1.00 0.00 O ATOM 41 OD2 ASP A 3 9.202 -9.594 -20.461 1.00 0.00 O ATOM 0 H ASP A 3 9.919 -6.160 -16.613 1.00 0.00 H new ATOM 0 HA ASP A 3 9.690 -6.641 -19.419 1.00 0.00 H new ATOM 0 HB2 ASP A 3 11.140 -8.626 -18.127 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.507 -9.245 -17.980 1.00 0.00 H new ATOM 46 N ILE A 4 7.891 -7.351 -16.738 1.00 0.00 N ATOM 47 CA ILE A 4 6.518 -7.412 -16.217 1.00 0.00 C ATOM 48 C ILE A 4 5.771 -6.098 -16.484 1.00 0.00 C ATOM 49 O ILE A 4 4.551 -6.092 -16.648 1.00 0.00 O ATOM 50 CB ILE A 4 6.493 -7.717 -14.703 1.00 0.00 C ATOM 51 CG1 ILE A 4 7.057 -6.530 -13.889 1.00 0.00 C ATOM 52 CG2 ILE A 4 7.299 -8.989 -14.410 1.00 0.00 C ATOM 53 CD1 ILE A 4 8.586 -6.457 -13.999 1.00 0.00 C ATOM 0 H ILE A 4 8.618 -7.447 -16.029 1.00 0.00 H new ATOM 0 HA ILE A 4 6.017 -8.225 -16.742 1.00 0.00 H new ATOM 0 HB ILE A 4 5.457 -7.873 -14.403 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.619 -5.599 -14.248 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.770 -6.634 -12.843 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.276 -9.196 -13.340 1.00 0.00 H new ATOM 0 HG22 ILE A 4 6.863 -9.829 -14.952 1.00 0.00 H new ATOM 0 HG23 ILE A 4 8.331 -8.847 -14.730 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.953 -5.612 -13.416 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.023 -7.379 -13.616 1.00 0.00 H new ATOM 0 HD13 ILE A 4 8.870 -6.328 -15.043 1.00 0.00 H new ATOM 65 N TYR A 5 6.520 -4.989 -16.532 1.00 0.00 N ATOM 66 CA TYR A 5 5.927 -3.673 -16.789 1.00 0.00 C ATOM 67 C TYR A 5 5.533 -3.542 -18.260 1.00 0.00 C ATOM 68 O TYR A 5 4.517 -2.927 -18.590 1.00 0.00 O ATOM 69 CB TYR A 5 6.918 -2.559 -16.438 1.00 0.00 C ATOM 70 CG TYR A 5 7.354 -2.723 -15.004 1.00 0.00 C ATOM 71 CD1 TYR A 5 6.492 -2.358 -13.965 1.00 0.00 C ATOM 72 CD2 TYR A 5 8.616 -3.252 -14.715 1.00 0.00 C ATOM 73 CE1 TYR A 5 6.893 -2.524 -12.635 1.00 0.00 C ATOM 74 CE2 TYR A 5 9.017 -3.417 -13.388 1.00 0.00 C ATOM 75 CZ TYR A 5 8.156 -3.055 -12.346 1.00 0.00 C ATOM 76 OH TYR A 5 8.551 -3.219 -11.033 1.00 0.00 O ATOM 0 H TYR A 5 7.531 -4.977 -16.397 1.00 0.00 H new ATOM 0 HA TYR A 5 5.039 -3.578 -16.164 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.782 -2.601 -17.101 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.454 -1.583 -16.581 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.518 -1.949 -14.189 1.00 0.00 H new ATOM 0 HD2 TYR A 5 9.281 -3.533 -15.519 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.229 -2.243 -11.831 1.00 0.00 H new ATOM 0 HE2 TYR A 5 9.992 -3.824 -13.166 1.00 0.00 H new ATOM 0 HH TYR A 5 9.454 -3.600 -11.008 1.00 0.00 H new ATOM 86 N LYS A 6 6.347 -4.137 -19.137 1.00 0.00 N ATOM 87 CA LYS A 6 6.079 -4.097 -20.580 1.00 0.00 C ATOM 88 C LYS A 6 4.891 -4.992 -20.911 1.00 0.00 C ATOM 89 O LYS A 6 4.036 -4.641 -21.725 1.00 0.00 O ATOM 90 CB LYS A 6 7.303 -4.567 -21.382 1.00 0.00 C ATOM 91 CG LYS A 6 8.582 -3.923 -20.830 1.00 0.00 C ATOM 92 CD LYS A 6 8.348 -2.430 -20.580 1.00 0.00 C ATOM 93 CE LYS A 6 9.488 -1.866 -19.727 1.00 0.00 C ATOM 94 NZ LYS A 6 9.629 -0.403 -19.984 1.00 0.00 N ATOM 0 H LYS A 6 7.190 -4.648 -18.877 1.00 0.00 H new ATOM 0 HA LYS A 6 5.856 -3.066 -20.853 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.384 -5.653 -21.332 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.180 -4.305 -22.433 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.876 -4.414 -19.902 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.402 -4.058 -21.536 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.292 -1.897 -21.529 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.394 -2.281 -20.074 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.286 -2.042 -18.670 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.420 -2.379 -19.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.403 -0.022 -19.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.840 -0.246 -20.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.742 0.080 -19.737 1.00 0.00 H new ATOM 108 N ALA A 7 4.843 -6.147 -20.249 1.00 0.00 N ATOM 109 CA ALA A 7 3.746 -7.094 -20.451 1.00 0.00 C ATOM 110 C ALA A 7 2.460 -6.558 -19.814 1.00 0.00 C ATOM 111 O ALA A 7 1.358 -6.842 -20.287 1.00 0.00 O ATOM 112 CB ALA A 7 4.086 -8.449 -19.827 1.00 0.00 C ATOM 0 H ALA A 7 5.545 -6.449 -19.573 1.00 0.00 H new ATOM 0 HA ALA A 7 3.598 -7.218 -21.524 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.259 -9.141 -19.987 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.988 -8.848 -20.292 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.254 -8.325 -18.757 1.00 0.00 H new ATOM 118 N ALA A 8 2.615 -5.777 -18.736 1.00 0.00 N ATOM 119 CA ALA A 8 1.465 -5.201 -18.035 1.00 0.00 C ATOM 120 C ALA A 8 0.908 -3.989 -18.783 1.00 0.00 C ATOM 121 O ALA A 8 -0.298 -3.739 -18.750 1.00 0.00 O ATOM 122 CB ALA A 8 1.864 -4.765 -16.624 1.00 0.00 C ATOM 0 H ALA A 8 3.520 -5.532 -18.334 1.00 0.00 H new ATOM 0 HA ALA A 8 0.697 -5.972 -17.984 1.00 0.00 H new ATOM 0 HB1 ALA A 8 0.999 -4.339 -16.116 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.224 -5.628 -16.065 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.654 -4.016 -16.684 1.00 0.00 H new ATOM 128 N VAL A 9 1.791 -3.232 -19.451 1.00 0.00 N ATOM 129 CA VAL A 9 1.360 -2.041 -20.192 1.00 0.00 C ATOM 130 C VAL A 9 0.332 -2.396 -21.278 1.00 0.00 C ATOM 131 O VAL A 9 -0.546 -1.590 -21.595 1.00 0.00 O ATOM 132 CB VAL A 9 2.572 -1.325 -20.819 1.00 0.00 C ATOM 133 CG1 VAL A 9 2.904 -1.915 -22.196 1.00 0.00 C ATOM 134 CG2 VAL A 9 2.258 0.166 -20.971 1.00 0.00 C ATOM 0 H VAL A 9 2.793 -3.420 -19.493 1.00 0.00 H new ATOM 0 HA VAL A 9 0.880 -1.367 -19.482 1.00 0.00 H new ATOM 0 HB VAL A 9 3.432 -1.463 -20.164 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.763 -1.393 -22.618 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.139 -2.974 -22.091 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.047 -1.797 -22.859 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.114 0.675 -21.414 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.388 0.291 -21.616 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.048 0.595 -19.991 1.00 0.00 H new ATOM 144 N GLU A 10 0.445 -3.607 -21.836 1.00 0.00 N ATOM 145 CA GLU A 10 -0.487 -4.053 -22.876 1.00 0.00 C ATOM 146 C GLU A 10 -1.766 -4.642 -22.263 1.00 0.00 C ATOM 147 O GLU A 10 -2.772 -4.811 -22.955 1.00 0.00 O ATOM 148 CB GLU A 10 0.171 -5.113 -23.765 1.00 0.00 C ATOM 149 CG GLU A 10 1.220 -4.449 -24.662 1.00 0.00 C ATOM 150 CD GLU A 10 1.356 -5.238 -25.961 1.00 0.00 C ATOM 151 OE1 GLU A 10 0.604 -4.962 -26.881 1.00 0.00 O ATOM 152 OE2 GLU A 10 2.212 -6.106 -26.018 1.00 0.00 O ATOM 0 H GLU A 10 1.163 -4.288 -21.588 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.750 -3.180 -23.474 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.638 -5.881 -23.148 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.583 -5.610 -24.376 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.930 -3.421 -24.878 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.180 -4.408 -24.147 1.00 0.00 H new ATOM 159 N GLN A 11 -1.719 -4.950 -20.960 1.00 0.00 N ATOM 160 CA GLN A 11 -2.877 -5.518 -20.266 1.00 0.00 C ATOM 161 C GLN A 11 -3.739 -4.418 -19.644 1.00 0.00 C ATOM 162 O GLN A 11 -4.926 -4.628 -19.385 1.00 0.00 O ATOM 163 CB GLN A 11 -2.423 -6.468 -19.154 1.00 0.00 C ATOM 164 CG GLN A 11 -1.499 -7.538 -19.737 1.00 0.00 C ATOM 165 CD GLN A 11 -2.327 -8.710 -20.253 1.00 0.00 C ATOM 166 OE1 GLN A 11 -2.594 -9.661 -19.518 1.00 0.00 O ATOM 167 NE2 GLN A 11 -2.756 -8.700 -21.488 1.00 0.00 N ATOM 0 H GLN A 11 -0.897 -4.816 -20.371 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.464 -6.064 -21.005 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.903 -5.910 -18.375 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.289 -6.937 -18.687 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.905 -7.116 -20.547 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.800 -7.882 -18.975 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.536 -7.913 -22.098 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.311 -9.479 -21.841 1.00 0.00 H new ATOM 176 N LEU A 12 -3.125 -3.251 -19.398 1.00 0.00 N ATOM 177 CA LEU A 12 -3.832 -2.113 -18.795 1.00 0.00 C ATOM 178 C LEU A 12 -5.201 -1.908 -19.442 1.00 0.00 C ATOM 179 O LEU A 12 -5.304 -1.467 -20.589 1.00 0.00 O ATOM 180 CB LEU A 12 -3.011 -0.827 -18.945 1.00 0.00 C ATOM 181 CG LEU A 12 -1.565 -0.904 -18.438 1.00 0.00 C ATOM 182 CD1 LEU A 12 -0.982 0.508 -18.336 1.00 0.00 C ATOM 183 CD2 LEU A 12 -1.537 -1.570 -17.059 1.00 0.00 C ATOM 0 H LEU A 12 -2.143 -3.071 -19.607 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.969 -2.338 -17.737 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.994 -0.548 -19.999 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.522 -0.026 -18.412 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.970 -1.493 -19.135 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.045 0.452 -17.976 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.997 0.980 -19.319 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.579 1.099 -17.641 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.509 -1.623 -16.702 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.134 -0.985 -16.360 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.948 -2.577 -17.133 1.00 0.00 H new ATOM 195 N THR A 13 -6.250 -2.243 -18.686 1.00 0.00 N ATOM 196 CA THR A 13 -7.621 -2.102 -19.182 1.00 0.00 C ATOM 197 C THR A 13 -8.445 -1.222 -18.250 1.00 0.00 C ATOM 198 O THR A 13 -8.057 -0.962 -17.109 1.00 0.00 O ATOM 199 CB THR A 13 -8.313 -3.470 -19.288 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.769 -4.365 -18.326 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.113 -4.043 -20.689 1.00 0.00 C ATOM 0 H THR A 13 -6.178 -2.610 -17.737 1.00 0.00 H new ATOM 0 HA THR A 13 -7.559 -1.644 -20.169 1.00 0.00 H new ATOM 0 HB THR A 13 -9.379 -3.343 -19.098 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.876 -4.649 -18.612 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.605 -5.013 -20.759 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.543 -3.364 -21.425 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.047 -4.162 -20.885 1.00 0.00 H new ATOM 209 N ASP A 14 -9.604 -0.784 -18.748 1.00 0.00 N ATOM 210 CA ASP A 14 -10.506 0.051 -17.954 1.00 0.00 C ATOM 211 C ASP A 14 -10.964 -0.705 -16.705 1.00 0.00 C ATOM 212 O ASP A 14 -11.203 -0.104 -15.658 1.00 0.00 O ATOM 213 CB ASP A 14 -11.740 0.442 -18.774 1.00 0.00 C ATOM 214 CG ASP A 14 -11.340 1.428 -19.868 1.00 0.00 C ATOM 215 OD1 ASP A 14 -11.334 2.617 -19.591 1.00 0.00 O ATOM 216 OD2 ASP A 14 -11.049 0.982 -20.965 1.00 0.00 O ATOM 0 H ASP A 14 -9.937 -0.992 -19.689 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.963 0.951 -17.663 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -12.190 -0.446 -19.218 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.493 0.890 -18.125 1.00 0.00 H new ATOM 221 N GLU A 15 -11.075 -2.034 -16.832 1.00 0.00 N ATOM 222 CA GLU A 15 -11.500 -2.879 -15.714 1.00 0.00 C ATOM 223 C GLU A 15 -10.465 -2.856 -14.587 1.00 0.00 C ATOM 224 O GLU A 15 -10.817 -2.684 -13.419 1.00 0.00 O ATOM 225 CB GLU A 15 -11.700 -4.325 -16.178 1.00 0.00 C ATOM 226 CG GLU A 15 -13.046 -4.450 -16.900 1.00 0.00 C ATOM 227 CD GLU A 15 -13.215 -5.874 -17.422 1.00 0.00 C ATOM 228 OE1 GLU A 15 -13.743 -6.693 -16.689 1.00 0.00 O ATOM 229 OE2 GLU A 15 -12.816 -6.123 -18.548 1.00 0.00 O ATOM 0 H GLU A 15 -10.877 -2.543 -17.694 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.444 -2.481 -15.341 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.889 -4.619 -16.844 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.670 -5.000 -15.323 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.860 -4.202 -16.219 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.095 -3.741 -17.726 1.00 0.00 H new ATOM 236 N GLN A 16 -9.185 -3.026 -14.945 1.00 0.00 N ATOM 237 CA GLN A 16 -8.116 -3.016 -13.941 1.00 0.00 C ATOM 238 C GLN A 16 -7.970 -1.617 -13.339 1.00 0.00 C ATOM 239 O GLN A 16 -7.840 -1.470 -12.125 1.00 0.00 O ATOM 240 CB GLN A 16 -6.783 -3.505 -14.554 1.00 0.00 C ATOM 241 CG GLN A 16 -5.892 -2.331 -14.979 1.00 0.00 C ATOM 242 CD GLN A 16 -4.471 -2.832 -15.229 1.00 0.00 C ATOM 243 OE1 GLN A 16 -3.517 -2.315 -14.647 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.268 -3.817 -16.065 1.00 0.00 N ATOM 0 H GLN A 16 -8.870 -3.169 -15.904 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.382 -3.705 -13.140 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.252 -4.121 -13.828 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.989 -4.137 -15.418 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.289 -1.868 -15.882 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.887 -1.565 -14.203 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.057 -4.247 -16.548 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.321 -4.156 -16.234 1.00 0.00 H new ATOM 253 N LYS A 17 -8.019 -0.591 -14.199 1.00 0.00 N ATOM 254 CA LYS A 17 -7.914 0.792 -13.731 1.00 0.00 C ATOM 255 C LYS A 17 -9.077 1.118 -12.793 1.00 0.00 C ATOM 256 O LYS A 17 -8.921 1.875 -11.839 1.00 0.00 O ATOM 257 CB LYS A 17 -7.930 1.771 -14.910 1.00 0.00 C ATOM 258 CG LYS A 17 -6.504 2.247 -15.206 1.00 0.00 C ATOM 259 CD LYS A 17 -5.935 1.463 -16.392 1.00 0.00 C ATOM 260 CE LYS A 17 -6.346 2.141 -17.703 1.00 0.00 C ATOM 261 NZ LYS A 17 -5.432 1.708 -18.799 1.00 0.00 N ATOM 0 H LYS A 17 -8.129 -0.692 -15.208 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.969 0.896 -13.198 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.352 1.287 -15.791 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.568 2.624 -14.678 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.505 3.314 -15.430 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.873 2.106 -14.328 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.848 1.415 -16.321 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.301 0.437 -16.372 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.375 1.882 -17.951 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.308 3.225 -17.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.648 2.245 -19.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.446 1.884 -18.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.564 0.692 -18.980 1.00 0.00 H new ATOM 275 N ASN A 18 -10.240 0.516 -13.071 1.00 0.00 N ATOM 276 CA ASN A 18 -11.429 0.721 -12.245 1.00 0.00 C ATOM 277 C ASN A 18 -11.202 0.124 -10.853 1.00 0.00 C ATOM 278 O ASN A 18 -11.571 0.720 -9.841 1.00 0.00 O ATOM 279 CB ASN A 18 -12.652 0.066 -12.920 1.00 0.00 C ATOM 280 CG ASN A 18 -13.501 -0.701 -11.906 1.00 0.00 C ATOM 281 OD1 ASN A 18 -14.332 -0.116 -11.211 1.00 0.00 O ATOM 282 ND2 ASN A 18 -13.336 -1.990 -11.781 1.00 0.00 N ATOM 0 H ASN A 18 -10.380 -0.115 -13.860 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.618 1.789 -12.140 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -13.260 0.833 -13.400 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -12.317 -0.613 -13.705 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.896 -2.513 -11.107 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.647 -2.474 -12.357 1.00 0.00 H new ATOM 289 N GLU A 19 -10.587 -1.062 -10.825 1.00 0.00 N ATOM 290 CA GLU A 19 -10.302 -1.749 -9.562 1.00 0.00 C ATOM 291 C GLU A 19 -9.405 -0.888 -8.678 1.00 0.00 C ATOM 292 O GLU A 19 -9.732 -0.612 -7.522 1.00 0.00 O ATOM 293 CB GLU A 19 -9.597 -3.087 -9.817 1.00 0.00 C ATOM 294 CG GLU A 19 -10.526 -4.020 -10.596 1.00 0.00 C ATOM 295 CD GLU A 19 -11.506 -4.688 -9.635 1.00 0.00 C ATOM 296 OE1 GLU A 19 -11.134 -5.687 -9.040 1.00 0.00 O ATOM 297 OE2 GLU A 19 -12.614 -4.190 -9.509 1.00 0.00 O ATOM 0 H GLU A 19 -10.278 -1.564 -11.658 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.254 -1.928 -9.062 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.677 -2.923 -10.378 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.315 -3.547 -8.870 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.071 -3.457 -11.354 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.942 -4.777 -11.120 1.00 0.00 H new ATOM 304 N PHE A 20 -8.268 -0.473 -9.240 1.00 0.00 N ATOM 305 CA PHE A 20 -7.313 0.356 -8.501 1.00 0.00 C ATOM 306 C PHE A 20 -7.900 1.735 -8.192 1.00 0.00 C ATOM 307 O PHE A 20 -7.677 2.280 -7.112 1.00 0.00 O ATOM 308 CB PHE A 20 -6.021 0.540 -9.303 1.00 0.00 C ATOM 309 CG PHE A 20 -5.355 -0.798 -9.512 1.00 0.00 C ATOM 310 CD1 PHE A 20 -4.780 -1.472 -8.428 1.00 0.00 C ATOM 311 CD2 PHE A 20 -5.315 -1.363 -10.789 1.00 0.00 C ATOM 312 CE1 PHE A 20 -4.164 -2.712 -8.627 1.00 0.00 C ATOM 313 CE2 PHE A 20 -4.702 -2.602 -10.988 1.00 0.00 C ATOM 314 CZ PHE A 20 -4.125 -3.277 -9.907 1.00 0.00 C ATOM 0 H PHE A 20 -7.987 -0.695 -10.195 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.095 -0.160 -7.566 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.242 1.001 -10.266 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.347 1.214 -8.774 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.812 -1.036 -7.441 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.759 -0.841 -11.624 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.718 -3.234 -7.793 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.673 -3.039 -11.975 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.649 -4.234 -10.060 1.00 0.00 H new ATOM 324 N LYS A 21 -8.648 2.293 -9.151 1.00 0.00 N ATOM 325 CA LYS A 21 -9.259 3.614 -8.970 1.00 0.00 C ATOM 326 C LYS A 21 -10.259 3.593 -7.815 1.00 0.00 C ATOM 327 O LYS A 21 -10.279 4.503 -6.991 1.00 0.00 O ATOM 328 CB LYS A 21 -9.974 4.066 -10.252 1.00 0.00 C ATOM 329 CG LYS A 21 -10.512 5.496 -10.084 1.00 0.00 C ATOM 330 CD LYS A 21 -9.354 6.470 -9.828 1.00 0.00 C ATOM 331 CE LYS A 21 -8.467 6.563 -11.074 1.00 0.00 C ATOM 332 NZ LYS A 21 -7.594 7.767 -10.978 1.00 0.00 N ATOM 0 H LYS A 21 -8.843 1.855 -10.051 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.460 4.319 -8.740 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.284 4.026 -11.095 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.795 3.385 -10.479 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.057 5.795 -10.979 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.218 5.532 -9.254 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.745 7.455 -9.575 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.765 6.132 -8.976 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.856 5.665 -11.166 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.086 6.620 -11.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.993 7.828 -11.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.185 8.620 -10.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.994 7.694 -10.132 1.00 0.00 H new ATOM 346 N ALA A 22 -11.080 2.541 -7.760 1.00 0.00 N ATOM 347 CA ALA A 22 -12.068 2.411 -6.689 1.00 0.00 C ATOM 348 C ALA A 22 -11.363 2.209 -5.348 1.00 0.00 C ATOM 349 O ALA A 22 -11.715 2.836 -4.350 1.00 0.00 O ATOM 350 CB ALA A 22 -13.000 1.228 -6.951 1.00 0.00 C ATOM 0 H ALA A 22 -11.080 1.777 -8.436 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.658 3.327 -6.660 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.726 1.151 -6.142 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.523 1.379 -7.895 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.416 0.309 -7.003 1.00 0.00 H new ATOM 356 N ALA A 23 -10.344 1.339 -5.348 1.00 0.00 N ATOM 357 CA ALA A 23 -9.566 1.067 -4.134 1.00 0.00 C ATOM 358 C ALA A 23 -8.795 2.318 -3.695 1.00 0.00 C ATOM 359 O ALA A 23 -8.436 2.460 -2.525 1.00 0.00 O ATOM 360 CB ALA A 23 -8.571 -0.073 -4.375 1.00 0.00 C ATOM 0 H ALA A 23 -10.041 0.815 -6.169 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.265 0.778 -3.349 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.004 -0.260 -3.463 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.113 -0.976 -4.656 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.887 0.204 -5.177 1.00 0.00 H new ATOM 366 N PHE A 24 -8.548 3.220 -4.650 1.00 0.00 N ATOM 367 CA PHE A 24 -7.828 4.458 -4.371 1.00 0.00 C ATOM 368 C PHE A 24 -8.799 5.541 -3.894 1.00 0.00 C ATOM 369 O PHE A 24 -8.615 6.126 -2.828 1.00 0.00 O ATOM 370 CB PHE A 24 -7.117 4.945 -5.644 1.00 0.00 C ATOM 371 CG PHE A 24 -5.940 5.828 -5.293 1.00 0.00 C ATOM 372 CD1 PHE A 24 -6.117 7.208 -5.153 1.00 0.00 C ATOM 373 CD2 PHE A 24 -4.670 5.265 -5.120 1.00 0.00 C ATOM 374 CE1 PHE A 24 -5.026 8.027 -4.839 1.00 0.00 C ATOM 375 CE2 PHE A 24 -3.578 6.084 -4.807 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.756 7.464 -4.665 1.00 0.00 C ATOM 0 H PHE A 24 -8.838 3.112 -5.622 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.093 4.264 -3.590 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.775 4.089 -6.226 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.818 5.497 -6.270 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -7.097 7.643 -5.287 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.532 4.199 -5.228 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.164 9.093 -4.731 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.598 5.650 -4.675 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.914 8.095 -4.421 1.00 0.00 H new ATOM 386 N ASP A 25 -9.828 5.803 -4.711 1.00 0.00 N ATOM 387 CA ASP A 25 -10.830 6.833 -4.403 1.00 0.00 C ATOM 388 C ASP A 25 -11.475 6.645 -3.025 1.00 0.00 C ATOM 389 O ASP A 25 -11.729 7.628 -2.326 1.00 0.00 O ATOM 390 CB ASP A 25 -11.936 6.841 -5.464 1.00 0.00 C ATOM 391 CG ASP A 25 -12.400 8.274 -5.706 1.00 0.00 C ATOM 392 OD1 ASP A 25 -13.283 8.719 -4.992 1.00 0.00 O ATOM 393 OD2 ASP A 25 -11.866 8.904 -6.605 1.00 0.00 O ATOM 0 H ASP A 25 -9.989 5.315 -5.592 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.295 7.783 -4.400 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.567 6.406 -6.393 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.774 6.227 -5.135 1.00 0.00 H new ATOM 398 N ILE A 26 -11.748 5.392 -2.642 1.00 0.00 N ATOM 399 CA ILE A 26 -12.376 5.128 -1.338 1.00 0.00 C ATOM 400 C ILE A 26 -11.549 5.738 -0.200 1.00 0.00 C ATOM 401 O ILE A 26 -12.102 6.249 0.776 1.00 0.00 O ATOM 402 CB ILE A 26 -12.542 3.622 -1.096 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.190 2.917 -1.266 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.554 3.054 -2.095 1.00 0.00 C ATOM 405 CD1 ILE A 26 -11.344 1.422 -0.984 1.00 0.00 C ATOM 0 H ILE A 26 -11.550 4.561 -3.200 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.362 5.593 -1.354 1.00 0.00 H new ATOM 0 HB ILE A 26 -12.904 3.456 -0.081 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.816 3.068 -2.278 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.456 3.350 -0.587 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.673 1.984 -1.924 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.515 3.552 -1.962 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.196 3.222 -3.111 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.380 0.927 -1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.698 1.279 0.037 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.063 0.992 -1.681 1.00 0.00 H new ATOM 417 N PHE A 27 -10.221 5.691 -0.346 1.00 0.00 N ATOM 418 CA PHE A 27 -9.326 6.253 0.666 1.00 0.00 C ATOM 419 C PHE A 27 -9.111 7.754 0.432 1.00 0.00 C ATOM 420 O PHE A 27 -8.849 8.504 1.374 1.00 0.00 O ATOM 421 CB PHE A 27 -7.971 5.536 0.641 1.00 0.00 C ATOM 422 CG PHE A 27 -8.084 4.230 1.393 1.00 0.00 C ATOM 423 CD1 PHE A 27 -8.467 3.066 0.718 1.00 0.00 C ATOM 424 CD2 PHE A 27 -7.814 4.185 2.766 1.00 0.00 C ATOM 425 CE1 PHE A 27 -8.581 1.858 1.413 1.00 0.00 C ATOM 426 CE2 PHE A 27 -7.926 2.975 3.463 1.00 0.00 C ATOM 427 CZ PHE A 27 -8.310 1.812 2.786 1.00 0.00 C ATOM 0 H PHE A 27 -9.747 5.274 -1.147 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.793 6.110 1.640 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.663 5.351 -0.388 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.205 6.165 1.095 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.675 3.100 -0.341 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.519 5.083 3.288 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.878 0.961 0.891 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.716 2.940 4.522 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.397 0.879 3.323 1.00 0.00 H new ATOM 437 N ILE A 28 -9.223 8.186 -0.834 1.00 0.00 N ATOM 438 CA ILE A 28 -9.036 9.602 -1.179 1.00 0.00 C ATOM 439 C ILE A 28 -10.377 10.351 -1.167 1.00 0.00 C ATOM 440 O ILE A 28 -10.618 11.239 -1.990 1.00 0.00 O ATOM 441 CB ILE A 28 -8.387 9.740 -2.569 1.00 0.00 C ATOM 442 CG1 ILE A 28 -7.184 8.798 -2.695 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.908 11.177 -2.789 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.419 8.722 -1.369 1.00 0.00 C ATOM 0 H ILE A 28 -9.440 7.582 -1.627 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.378 10.041 -0.429 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.135 9.480 -3.318 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.523 7.803 -2.983 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.520 9.150 -3.485 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.451 11.261 -3.775 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.757 11.858 -2.723 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.174 11.437 -2.026 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.569 8.049 -1.478 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.063 9.716 -1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.081 8.347 -0.588 1.00 0.00 H new ATOM 456 N GLN A 29 -11.242 9.997 -0.215 1.00 0.00 N ATOM 457 CA GLN A 29 -12.546 10.653 -0.099 1.00 0.00 C ATOM 458 C GLN A 29 -12.403 12.034 0.554 1.00 0.00 C ATOM 459 O GLN A 29 -13.214 12.929 0.313 1.00 0.00 O ATOM 460 CB GLN A 29 -13.529 9.800 0.720 1.00 0.00 C ATOM 461 CG GLN A 29 -12.926 9.454 2.088 1.00 0.00 C ATOM 462 CD GLN A 29 -14.047 9.162 3.085 1.00 0.00 C ATOM 463 OE1 GLN A 29 -14.950 9.978 3.272 1.00 0.00 O ATOM 464 NE2 GLN A 29 -14.043 8.035 3.744 1.00 0.00 N ATOM 0 H GLN A 29 -11.067 9.270 0.478 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.941 10.771 -1.108 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.465 10.341 0.855 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.765 8.885 0.178 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.270 8.588 1.999 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.314 10.282 2.446 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.296 7.357 3.591 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.787 7.832 4.412 1.00 0.00 H new ATOM 473 N ASP A 30 -11.358 12.198 1.378 1.00 0.00 N ATOM 474 CA ASP A 30 -11.121 13.476 2.054 1.00 0.00 C ATOM 475 C ASP A 30 -9.618 13.778 2.158 1.00 0.00 C ATOM 476 O ASP A 30 -9.166 14.405 3.119 1.00 0.00 O ATOM 477 CB ASP A 30 -11.735 13.455 3.460 1.00 0.00 C ATOM 478 CG ASP A 30 -13.237 13.714 3.369 1.00 0.00 C ATOM 479 OD1 ASP A 30 -13.619 14.872 3.351 1.00 0.00 O ATOM 480 OD2 ASP A 30 -13.982 12.748 3.318 1.00 0.00 O ATOM 0 H ASP A 30 -10.674 11.471 1.589 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.594 14.259 1.461 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.550 12.491 3.934 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.263 14.213 4.085 1.00 0.00 H new ATOM 485 N ALA A 31 -8.845 13.335 1.155 1.00 0.00 N ATOM 486 CA ALA A 31 -7.401 13.577 1.151 1.00 0.00 C ATOM 487 C ALA A 31 -7.102 15.043 0.837 1.00 0.00 C ATOM 488 O ALA A 31 -7.898 15.732 0.194 1.00 0.00 O ATOM 489 CB ALA A 31 -6.711 12.699 0.105 1.00 0.00 C ATOM 0 H ALA A 31 -9.192 12.815 0.349 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.021 13.331 2.143 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.639 12.893 0.117 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.892 11.649 0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.110 12.928 -0.883 1.00 0.00 H new ATOM 495 N GLU A 32 -5.941 15.506 1.302 1.00 0.00 N ATOM 496 CA GLU A 32 -5.528 16.894 1.075 1.00 0.00 C ATOM 497 C GLU A 32 -4.876 17.054 -0.299 1.00 0.00 C ATOM 498 O GLU A 32 -5.149 18.017 -1.018 1.00 0.00 O ATOM 499 CB GLU A 32 -4.537 17.343 2.153 1.00 0.00 C ATOM 500 CG GLU A 32 -5.302 17.741 3.420 1.00 0.00 C ATOM 501 CD GLU A 32 -4.376 18.508 4.360 1.00 0.00 C ATOM 502 OE1 GLU A 32 -3.660 17.866 5.111 1.00 0.00 O ATOM 503 OE2 GLU A 32 -4.399 19.728 4.314 1.00 0.00 O ATOM 0 H GLU A 32 -5.274 14.947 1.834 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.423 17.515 1.120 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.837 16.538 2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.948 18.186 1.792 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.162 18.357 3.159 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.687 16.851 3.919 1.00 0.00 H new ATOM 510 N ASP A 33 -4.010 16.103 -0.652 1.00 0.00 N ATOM 511 CA ASP A 33 -3.318 16.147 -1.943 1.00 0.00 C ATOM 512 C ASP A 33 -4.014 15.246 -2.965 1.00 0.00 C ATOM 513 O ASP A 33 -4.151 15.610 -4.134 1.00 0.00 O ATOM 514 CB ASP A 33 -1.861 15.700 -1.788 1.00 0.00 C ATOM 515 CG ASP A 33 -1.043 16.829 -1.165 1.00 0.00 C ATOM 516 OD1 ASP A 33 -1.034 16.928 0.051 1.00 0.00 O ATOM 517 OD2 ASP A 33 -0.439 17.580 -1.915 1.00 0.00 O ATOM 0 H ASP A 33 -3.772 15.300 -0.070 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.345 17.177 -2.298 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.808 14.810 -1.161 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.447 15.431 -2.760 1.00 0.00 H new ATOM 522 N GLY A 34 -4.450 14.068 -2.509 1.00 0.00 N ATOM 523 CA GLY A 34 -5.135 13.115 -3.387 1.00 0.00 C ATOM 524 C GLY A 34 -4.361 11.800 -3.473 1.00 0.00 C ATOM 525 O GLY A 34 -4.150 11.259 -4.561 1.00 0.00 O ATOM 0 H GLY A 34 -4.342 13.753 -1.545 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.141 12.926 -3.011 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.242 13.544 -4.383 1.00 0.00 H new ATOM 529 N CYS A 35 -3.941 11.294 -2.311 1.00 0.00 N ATOM 530 CA CYS A 35 -3.188 10.039 -2.245 1.00 0.00 C ATOM 531 C CYS A 35 -3.335 9.407 -0.861 1.00 0.00 C ATOM 532 O CYS A 35 -3.895 10.012 0.055 1.00 0.00 O ATOM 533 CB CYS A 35 -1.698 10.271 -2.534 1.00 0.00 C ATOM 534 SG CYS A 35 -1.246 11.983 -2.147 1.00 0.00 S ATOM 0 H CYS A 35 -4.109 11.732 -1.405 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.594 9.369 -3.003 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.094 9.584 -1.941 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.486 10.059 -3.582 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.288 12.368 -2.937 1.00 0.00 H new ATOM 540 N ILE A 36 -2.816 8.185 -0.716 1.00 0.00 N ATOM 541 CA ILE A 36 -2.893 7.487 0.569 1.00 0.00 C ATOM 542 C ILE A 36 -1.544 7.555 1.286 1.00 0.00 C ATOM 543 O ILE A 36 -0.577 8.108 0.762 1.00 0.00 O ATOM 544 CB ILE A 36 -3.305 6.018 0.381 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.303 5.302 -0.530 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.698 5.952 -0.249 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.497 4.293 0.290 1.00 0.00 C ATOM 0 H ILE A 36 -2.346 7.666 -1.458 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.653 7.982 1.174 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.318 5.528 1.355 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.829 4.793 -1.337 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.634 6.027 -0.993 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.988 4.910 -0.382 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.416 6.449 0.403 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.683 6.450 -1.218 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.784 3.784 -0.359 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.959 4.814 1.082 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.173 3.561 0.732 1.00 0.00 H new ATOM 559 N SER A 37 -1.491 6.988 2.490 1.00 0.00 N ATOM 560 CA SER A 37 -0.255 6.992 3.268 1.00 0.00 C ATOM 561 C SER A 37 0.556 5.736 2.975 1.00 0.00 C ATOM 562 O SER A 37 0.017 4.628 2.936 1.00 0.00 O ATOM 563 CB SER A 37 -0.559 7.055 4.766 1.00 0.00 C ATOM 564 OG SER A 37 0.636 7.352 5.477 1.00 0.00 O ATOM 0 H SER A 37 -2.279 6.526 2.943 1.00 0.00 H new ATOM 0 HA SER A 37 0.320 7.873 2.983 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.312 7.818 4.964 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.971 6.105 5.105 1.00 0.00 H new ATOM 0 HG SER A 37 0.443 7.395 6.437 1.00 0.00 H new ATOM 570 N THR A 38 1.862 5.923 2.778 1.00 0.00 N ATOM 571 CA THR A 38 2.758 4.794 2.501 1.00 0.00 C ATOM 572 C THR A 38 2.703 3.781 3.646 1.00 0.00 C ATOM 573 O THR A 38 2.769 2.573 3.422 1.00 0.00 O ATOM 574 CB THR A 38 4.206 5.268 2.317 1.00 0.00 C ATOM 575 OG1 THR A 38 4.601 6.062 3.431 1.00 0.00 O ATOM 576 CG2 THR A 38 4.322 6.084 1.025 1.00 0.00 C ATOM 0 H THR A 38 2.321 6.834 2.804 1.00 0.00 H new ATOM 0 HA THR A 38 2.422 4.324 1.577 1.00 0.00 H new ATOM 0 HB THR A 38 4.862 4.400 2.251 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.327 6.991 3.284 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.351 6.419 0.897 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.034 5.464 0.176 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.663 6.950 1.081 1.00 0.00 H new ATOM 584 N LYS A 39 2.562 4.291 4.875 1.00 0.00 N ATOM 585 CA LYS A 39 2.477 3.430 6.055 1.00 0.00 C ATOM 586 C LYS A 39 1.123 2.711 6.105 1.00 0.00 C ATOM 587 O LYS A 39 1.004 1.631 6.686 1.00 0.00 O ATOM 588 CB LYS A 39 2.652 4.257 7.335 1.00 0.00 C ATOM 589 CG LYS A 39 3.951 5.074 7.266 1.00 0.00 C ATOM 590 CD LYS A 39 5.114 4.174 6.840 1.00 0.00 C ATOM 591 CE LYS A 39 6.421 4.972 6.871 1.00 0.00 C ATOM 592 NZ LYS A 39 6.588 5.711 5.586 1.00 0.00 N ATOM 0 H LYS A 39 2.505 5.289 5.075 1.00 0.00 H new ATOM 0 HA LYS A 39 3.275 2.690 5.987 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.800 4.925 7.464 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.674 3.597 8.202 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.837 5.894 6.558 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.162 5.519 8.238 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.185 3.315 7.507 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.937 3.785 5.837 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.411 5.672 7.706 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.265 4.300 7.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.355 5.277 5.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.702 5.667 5.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.824 6.704 5.785 1.00 0.00 H new ATOM 606 N GLU A 40 0.107 3.321 5.479 1.00 0.00 N ATOM 607 CA GLU A 40 -1.236 2.733 5.447 1.00 0.00 C ATOM 608 C GLU A 40 -1.423 1.824 4.223 1.00 0.00 C ATOM 609 O GLU A 40 -2.529 1.336 3.976 1.00 0.00 O ATOM 610 CB GLU A 40 -2.299 3.834 5.403 1.00 0.00 C ATOM 611 CG GLU A 40 -2.478 4.439 6.799 1.00 0.00 C ATOM 612 CD GLU A 40 -3.602 5.469 6.769 1.00 0.00 C ATOM 613 OE1 GLU A 40 -4.743 5.078 6.960 1.00 0.00 O ATOM 614 OE2 GLU A 40 -3.308 6.633 6.555 1.00 0.00 O ATOM 0 H GLU A 40 0.190 4.214 4.992 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.348 2.137 6.353 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.004 4.609 4.696 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.245 3.424 5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.709 3.654 7.520 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.550 4.908 7.125 1.00 0.00 H new ATOM 621 N LEU A 41 -0.341 1.594 3.463 1.00 0.00 N ATOM 622 CA LEU A 41 -0.421 0.736 2.283 1.00 0.00 C ATOM 623 C LEU A 41 -0.467 -0.732 2.710 1.00 0.00 C ATOM 624 O LEU A 41 0.542 -1.442 2.690 1.00 0.00 O ATOM 625 CB LEU A 41 0.778 0.970 1.360 1.00 0.00 C ATOM 626 CG LEU A 41 0.738 0.214 0.027 1.00 0.00 C ATOM 627 CD1 LEU A 41 -0.665 0.311 -0.580 1.00 0.00 C ATOM 628 CD2 LEU A 41 1.755 0.825 -0.939 1.00 0.00 C ATOM 0 H LEU A 41 0.583 1.986 3.645 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.332 0.984 1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.851 2.037 1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.686 0.686 1.892 1.00 0.00 H new ATOM 0 HG LEU A 41 0.985 -0.833 0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.690 -0.227 -1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.389 -0.128 0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.916 1.358 -0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.726 0.287 -1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.510 1.873 -1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.754 0.751 -0.510 1.00 0.00 H new ATOM 640 N GLY A 42 -1.661 -1.164 3.107 1.00 0.00 N ATOM 641 CA GLY A 42 -1.880 -2.538 3.556 1.00 0.00 C ATOM 642 C GLY A 42 -3.371 -2.850 3.576 1.00 0.00 C ATOM 643 O GLY A 42 -3.815 -3.866 3.038 1.00 0.00 O ATOM 0 H GLY A 42 -2.497 -0.579 3.127 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.364 -3.232 2.893 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.458 -2.675 4.552 1.00 0.00 H new ATOM 647 N LYS A 43 -4.140 -1.945 4.192 1.00 0.00 N ATOM 648 CA LYS A 43 -5.591 -2.104 4.270 1.00 0.00 C ATOM 649 C LYS A 43 -6.237 -1.829 2.903 1.00 0.00 C ATOM 650 O LYS A 43 -7.343 -2.297 2.625 1.00 0.00 O ATOM 651 CB LYS A 43 -6.173 -1.145 5.318 1.00 0.00 C ATOM 652 CG LYS A 43 -5.983 0.309 4.867 1.00 0.00 C ATOM 653 CD LYS A 43 -5.539 1.165 6.057 1.00 0.00 C ATOM 654 CE LYS A 43 -6.746 1.464 6.952 1.00 0.00 C ATOM 655 NZ LYS A 43 -6.423 2.597 7.864 1.00 0.00 N ATOM 0 H LYS A 43 -3.782 -1.101 4.640 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.808 -3.131 4.563 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.233 -1.353 5.463 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.683 -1.303 6.279 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.238 0.359 4.073 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.915 0.697 4.455 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.771 0.643 6.627 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.096 2.096 5.703 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.613 1.712 6.340 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.009 0.580 7.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.305 3.041 8.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.888 2.242 8.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.850 3.300 7.355 1.00 0.00 H new ATOM 669 N VAL A 44 -5.529 -1.070 2.053 1.00 0.00 N ATOM 670 CA VAL A 44 -6.033 -0.744 0.717 1.00 0.00 C ATOM 671 C VAL A 44 -6.001 -1.985 -0.186 1.00 0.00 C ATOM 672 O VAL A 44 -6.911 -2.204 -0.987 1.00 0.00 O ATOM 673 CB VAL A 44 -5.197 0.379 0.077 1.00 0.00 C ATOM 674 CG1 VAL A 44 -5.227 1.623 0.971 1.00 0.00 C ATOM 675 CG2 VAL A 44 -3.744 -0.078 -0.094 1.00 0.00 C ATOM 0 H VAL A 44 -4.613 -0.675 2.268 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.063 -0.402 0.821 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.621 0.616 -0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.634 2.414 0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.256 1.962 1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.812 1.378 1.949 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.161 0.724 -0.548 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.323 -0.326 0.881 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.713 -0.958 -0.737 1.00 0.00 H new ATOM 685 N MET A 45 -4.945 -2.796 -0.034 1.00 0.00 N ATOM 686 CA MET A 45 -4.800 -4.020 -0.829 1.00 0.00 C ATOM 687 C MET A 45 -5.812 -5.079 -0.384 1.00 0.00 C ATOM 688 O MET A 45 -6.212 -5.938 -1.173 1.00 0.00 O ATOM 689 CB MET A 45 -3.388 -4.594 -0.682 1.00 0.00 C ATOM 690 CG MET A 45 -2.364 -3.556 -1.142 1.00 0.00 C ATOM 691 SD MET A 45 -0.700 -4.259 -1.036 1.00 0.00 S ATOM 692 CE MET A 45 -0.337 -3.721 0.653 1.00 0.00 C ATOM 0 H MET A 45 -4.186 -2.628 0.626 1.00 0.00 H new ATOM 0 HA MET A 45 -4.982 -3.759 -1.872 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.202 -4.868 0.356 1.00 0.00 H new ATOM 0 HB3 MET A 45 -3.290 -5.504 -1.274 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.576 -3.250 -2.166 1.00 0.00 H new ATOM 0 HG3 MET A 45 -2.433 -2.662 -0.522 1.00 0.00 H new ATOM 0 HE1 MET A 45 0.743 -3.676 0.796 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.767 -2.734 0.821 1.00 0.00 H new ATOM 0 HE3 MET A 45 -0.767 -4.429 1.361 1.00 0.00 H new ATOM 702 N ARG A 46 -6.225 -5.001 0.888 1.00 0.00 N ATOM 703 CA ARG A 46 -7.200 -5.949 1.436 1.00 0.00 C ATOM 704 C ARG A 46 -8.493 -5.924 0.621 1.00 0.00 C ATOM 705 O ARG A 46 -9.059 -6.972 0.302 1.00 0.00 O ATOM 706 CB ARG A 46 -7.524 -5.606 2.893 1.00 0.00 C ATOM 707 CG ARG A 46 -6.356 -6.022 3.791 1.00 0.00 C ATOM 708 CD ARG A 46 -6.786 -5.950 5.258 1.00 0.00 C ATOM 709 NE ARG A 46 -5.619 -5.959 6.142 1.00 0.00 N ATOM 710 CZ ARG A 46 -5.744 -5.915 7.475 1.00 0.00 C ATOM 711 NH1 ARG A 46 -6.930 -5.864 8.036 1.00 0.00 N ATOM 712 NH2 ARG A 46 -4.672 -5.924 8.226 1.00 0.00 N ATOM 0 H ARG A 46 -5.901 -4.297 1.551 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.759 -6.945 1.386 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.709 -4.537 2.993 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.435 -6.118 3.204 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.037 -7.035 3.544 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.501 -5.368 3.619 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.369 -5.045 5.427 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.433 -6.795 5.494 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.686 -6.000 5.732 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.769 -5.858 7.456 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.013 -5.831 9.052 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.748 -5.964 7.796 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.761 -5.891 9.242 1.00 0.00 H new ATOM 726 N MET A 47 -8.947 -4.713 0.279 1.00 0.00 N ATOM 727 CA MET A 47 -10.169 -4.553 -0.512 1.00 0.00 C ATOM 728 C MET A 47 -9.951 -5.031 -1.950 1.00 0.00 C ATOM 729 O MET A 47 -10.872 -5.543 -2.589 1.00 0.00 O ATOM 730 CB MET A 47 -10.609 -3.086 -0.536 1.00 0.00 C ATOM 731 CG MET A 47 -11.479 -2.793 0.688 1.00 0.00 C ATOM 732 SD MET A 47 -11.068 -1.155 1.343 1.00 0.00 S ATOM 733 CE MET A 47 -12.497 -0.984 2.437 1.00 0.00 C ATOM 0 H MET A 47 -8.490 -3.838 0.535 1.00 0.00 H new ATOM 0 HA MET A 47 -10.946 -5.157 -0.044 1.00 0.00 H new ATOM 0 HB2 MET A 47 -9.736 -2.434 -0.539 1.00 0.00 H new ATOM 0 HB3 MET A 47 -11.166 -2.877 -1.449 1.00 0.00 H new ATOM 0 HG2 MET A 47 -12.534 -2.833 0.416 1.00 0.00 H new ATOM 0 HG3 MET A 47 -11.318 -3.553 1.452 1.00 0.00 H new ATOM 0 HE1 MET A 47 -12.447 -0.025 2.953 1.00 0.00 H new ATOM 0 HE2 MET A 47 -13.413 -1.032 1.849 1.00 0.00 H new ATOM 0 HE3 MET A 47 -12.493 -1.791 3.169 1.00 0.00 H new ATOM 743 N LEU A 48 -8.720 -4.860 -2.451 1.00 0.00 N ATOM 744 CA LEU A 48 -8.385 -5.279 -3.811 1.00 0.00 C ATOM 745 C LEU A 48 -8.593 -6.786 -3.987 1.00 0.00 C ATOM 746 O LEU A 48 -9.194 -7.225 -4.970 1.00 0.00 O ATOM 747 CB LEU A 48 -6.929 -4.934 -4.128 1.00 0.00 C ATOM 748 CG LEU A 48 -6.645 -4.577 -5.589 1.00 0.00 C ATOM 749 CD1 LEU A 48 -7.312 -3.241 -5.935 1.00 0.00 C ATOM 750 CD2 LEU A 48 -5.134 -4.459 -5.789 1.00 0.00 C ATOM 0 H LEU A 48 -7.948 -4.437 -1.936 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.046 -4.748 -4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.627 -4.095 -3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.303 -5.782 -3.850 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.045 -5.355 -6.239 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.107 -2.991 -6.976 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.389 -3.323 -5.787 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.915 -2.458 -5.289 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.923 -4.205 -6.828 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.741 -3.679 -5.137 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.659 -5.409 -5.545 1.00 0.00 H new ATOM 762 N GLY A 49 -8.097 -7.572 -3.024 1.00 0.00 N ATOM 763 CA GLY A 49 -8.245 -9.028 -3.093 1.00 0.00 C ATOM 764 C GLY A 49 -7.217 -9.751 -2.218 1.00 0.00 C ATOM 765 O GLY A 49 -7.524 -10.778 -1.612 1.00 0.00 O ATOM 0 H GLY A 49 -7.598 -7.231 -2.202 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.250 -9.306 -2.776 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.135 -9.355 -4.127 1.00 0.00 H new ATOM 769 N GLN A 50 -5.995 -9.212 -2.164 1.00 0.00 N ATOM 770 CA GLN A 50 -4.930 -9.828 -1.365 1.00 0.00 C ATOM 771 C GLN A 50 -5.024 -9.393 0.099 1.00 0.00 C ATOM 772 O GLN A 50 -5.790 -8.495 0.446 1.00 0.00 O ATOM 773 CB GLN A 50 -3.550 -9.452 -1.924 1.00 0.00 C ATOM 774 CG GLN A 50 -3.286 -7.956 -1.715 1.00 0.00 C ATOM 775 CD GLN A 50 -2.687 -7.357 -2.985 1.00 0.00 C ATOM 776 OE1 GLN A 50 -1.484 -7.105 -3.051 1.00 0.00 O ATOM 777 NE2 GLN A 50 -3.461 -7.110 -4.007 1.00 0.00 N ATOM 0 H GLN A 50 -5.720 -8.362 -2.657 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.057 -10.909 -1.420 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.776 -10.038 -1.428 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.501 -9.693 -2.986 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.215 -7.445 -1.463 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -2.605 -7.811 -0.876 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.458 -7.318 -3.954 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.069 -6.709 -4.859 1.00 0.00 H new ATOM 786 N ASN A 51 -4.231 -10.046 0.953 1.00 0.00 N ATOM 787 CA ASN A 51 -4.225 -9.729 2.382 1.00 0.00 C ATOM 788 C ASN A 51 -2.850 -10.035 2.988 1.00 0.00 C ATOM 789 O ASN A 51 -2.634 -11.107 3.560 1.00 0.00 O ATOM 790 CB ASN A 51 -5.303 -10.544 3.112 1.00 0.00 C ATOM 791 CG ASN A 51 -5.468 -10.026 4.539 1.00 0.00 C ATOM 792 OD1 ASN A 51 -6.133 -9.015 4.766 1.00 0.00 O ATOM 793 ND2 ASN A 51 -4.901 -10.667 5.524 1.00 0.00 N ATOM 0 H ASN A 51 -3.590 -10.792 0.682 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.439 -8.667 2.501 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.250 -10.472 2.578 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.026 -11.598 3.128 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.009 -10.330 6.481 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.350 -11.505 5.337 1.00 0.00 H new ATOM 800 N PRO A 52 -1.906 -9.093 2.864 1.00 0.00 N ATOM 801 CA PRO A 52 -0.540 -9.260 3.399 1.00 0.00 C ATOM 802 C PRO A 52 -0.429 -8.890 4.882 1.00 0.00 C ATOM 803 O PRO A 52 -1.434 -8.693 5.570 1.00 0.00 O ATOM 804 CB PRO A 52 0.257 -8.279 2.546 1.00 0.00 C ATOM 805 CG PRO A 52 -0.723 -7.223 2.048 1.00 0.00 C ATOM 806 CD PRO A 52 -2.135 -7.804 2.179 1.00 0.00 C ATOM 0 HA PRO A 52 -0.198 -10.294 3.351 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.055 -7.820 3.130 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.730 -8.792 1.708 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.630 -6.308 2.633 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.511 -6.962 1.011 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.787 -7.150 2.758 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.605 -7.943 1.206 1.00 0.00 H new ATOM 814 N THR A 53 0.815 -8.789 5.351 1.00 0.00 N ATOM 815 CA THR A 53 1.093 -8.428 6.745 1.00 0.00 C ATOM 816 C THR A 53 1.704 -7.023 6.790 1.00 0.00 C ATOM 817 O THR A 53 2.010 -6.451 5.744 1.00 0.00 O ATOM 818 CB THR A 53 2.073 -9.435 7.378 1.00 0.00 C ATOM 819 OG1 THR A 53 3.405 -9.098 7.018 1.00 0.00 O ATOM 820 CG2 THR A 53 1.762 -10.848 6.886 1.00 0.00 C ATOM 0 H THR A 53 1.649 -8.952 4.786 1.00 0.00 H new ATOM 0 HA THR A 53 0.160 -8.447 7.309 1.00 0.00 H new ATOM 0 HB THR A 53 1.965 -9.398 8.462 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.950 -9.912 6.984 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.460 -11.553 7.339 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.743 -11.115 7.167 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.861 -10.886 5.801 1.00 0.00 H new ATOM 828 N PRO A 54 1.908 -6.459 7.989 1.00 0.00 N ATOM 829 CA PRO A 54 2.505 -5.113 8.124 1.00 0.00 C ATOM 830 C PRO A 54 4.002 -5.099 7.811 1.00 0.00 C ATOM 831 O PRO A 54 4.539 -4.094 7.341 1.00 0.00 O ATOM 832 CB PRO A 54 2.231 -4.772 9.584 1.00 0.00 C ATOM 833 CG PRO A 54 2.029 -6.090 10.316 1.00 0.00 C ATOM 834 CD PRO A 54 1.578 -7.117 9.272 1.00 0.00 C ATOM 0 HA PRO A 54 2.085 -4.394 7.421 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.064 -4.216 10.013 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.347 -4.141 9.674 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.953 -6.410 10.797 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.281 -5.984 11.101 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.104 -8.065 9.386 1.00 0.00 H new ATOM 0 HD3 PRO A 54 0.512 -7.332 9.352 1.00 0.00 H new ATOM 842 N GLU A 55 4.663 -6.236 8.053 1.00 0.00 N ATOM 843 CA GLU A 55 6.095 -6.353 7.768 1.00 0.00 C ATOM 844 C GLU A 55 6.315 -6.685 6.288 1.00 0.00 C ATOM 845 O GLU A 55 7.322 -6.293 5.695 1.00 0.00 O ATOM 846 CB GLU A 55 6.747 -7.443 8.634 1.00 0.00 C ATOM 847 CG GLU A 55 6.022 -8.781 8.448 1.00 0.00 C ATOM 848 CD GLU A 55 6.807 -9.891 9.140 1.00 0.00 C ATOM 849 OE1 GLU A 55 6.563 -10.121 10.314 1.00 0.00 O ATOM 850 OE2 GLU A 55 7.641 -10.497 8.487 1.00 0.00 O ATOM 0 H GLU A 55 4.236 -7.077 8.440 1.00 0.00 H new ATOM 0 HA GLU A 55 6.559 -5.395 8.003 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.797 -7.551 8.363 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.717 -7.149 9.683 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.016 -8.721 8.862 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.917 -9.004 7.386 1.00 0.00 H new ATOM 857 N GLU A 56 5.355 -7.412 5.703 1.00 0.00 N ATOM 858 CA GLU A 56 5.438 -7.798 4.294 1.00 0.00 C ATOM 859 C GLU A 56 5.128 -6.609 3.383 1.00 0.00 C ATOM 860 O GLU A 56 5.898 -6.303 2.471 1.00 0.00 O ATOM 861 CB GLU A 56 4.458 -8.938 3.989 1.00 0.00 C ATOM 862 CG GLU A 56 4.934 -9.712 2.756 1.00 0.00 C ATOM 863 CD GLU A 56 6.172 -10.535 3.108 1.00 0.00 C ATOM 864 OE1 GLU A 56 6.009 -11.609 3.664 1.00 0.00 O ATOM 865 OE2 GLU A 56 7.266 -10.077 2.816 1.00 0.00 O ATOM 0 H GLU A 56 4.517 -7.742 6.182 1.00 0.00 H new ATOM 0 HA GLU A 56 6.457 -8.136 4.103 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.387 -9.608 4.846 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.460 -8.536 3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.140 -10.367 2.398 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.165 -9.019 1.947 1.00 0.00 H new ATOM 872 N LEU A 57 3.994 -5.939 3.639 1.00 0.00 N ATOM 873 CA LEU A 57 3.600 -4.779 2.833 1.00 0.00 C ATOM 874 C LEU A 57 4.667 -3.682 2.880 1.00 0.00 C ATOM 875 O LEU A 57 4.802 -2.903 1.936 1.00 0.00 O ATOM 876 CB LEU A 57 2.273 -4.200 3.329 1.00 0.00 C ATOM 877 CG LEU A 57 2.267 -3.712 4.784 1.00 0.00 C ATOM 878 CD1 LEU A 57 2.737 -2.256 4.851 1.00 0.00 C ATOM 879 CD2 LEU A 57 0.847 -3.812 5.341 1.00 0.00 C ATOM 0 H LEU A 57 3.343 -6.178 4.387 1.00 0.00 H new ATOM 0 HA LEU A 57 3.488 -5.124 1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.997 -3.366 2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.500 -4.960 3.216 1.00 0.00 H new ATOM 0 HG LEU A 57 2.942 -4.332 5.374 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.729 -1.919 5.887 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.749 -2.182 4.453 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.068 -1.630 4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.836 -3.467 6.375 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.178 -3.192 4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.513 -4.849 5.302 1.00 0.00 H new ATOM 891 N GLN A 58 5.416 -3.626 3.990 1.00 0.00 N ATOM 892 CA GLN A 58 6.467 -2.616 4.150 1.00 0.00 C ATOM 893 C GLN A 58 7.435 -2.644 2.965 1.00 0.00 C ATOM 894 O GLN A 58 7.816 -1.596 2.440 1.00 0.00 O ATOM 895 CB GLN A 58 7.250 -2.848 5.448 1.00 0.00 C ATOM 896 CG GLN A 58 8.042 -1.585 5.807 1.00 0.00 C ATOM 897 CD GLN A 58 7.079 -0.436 6.100 1.00 0.00 C ATOM 898 OE1 GLN A 58 6.661 -0.243 7.241 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.698 0.347 5.126 1.00 0.00 N ATOM 0 H GLN A 58 5.314 -4.261 4.781 1.00 0.00 H new ATOM 0 HA GLN A 58 5.982 -1.641 4.192 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.565 -3.101 6.257 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.929 -3.693 5.329 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.672 -1.774 6.676 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.706 -1.315 4.985 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.043 0.189 4.179 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.055 1.117 5.312 1.00 0.00 H new ATOM 908 N GLU A 59 7.816 -3.854 2.544 1.00 0.00 N ATOM 909 CA GLU A 59 8.730 -4.010 1.409 1.00 0.00 C ATOM 910 C GLU A 59 8.064 -3.544 0.113 1.00 0.00 C ATOM 911 O GLU A 59 8.712 -2.941 -0.744 1.00 0.00 O ATOM 912 CB GLU A 59 9.160 -5.472 1.253 1.00 0.00 C ATOM 913 CG GLU A 59 10.150 -5.838 2.363 1.00 0.00 C ATOM 914 CD GLU A 59 10.947 -7.074 1.954 1.00 0.00 C ATOM 915 OE1 GLU A 59 10.466 -8.171 2.190 1.00 0.00 O ATOM 916 OE2 GLU A 59 12.027 -6.905 1.412 1.00 0.00 O ATOM 0 H GLU A 59 7.510 -4.730 2.967 1.00 0.00 H new ATOM 0 HA GLU A 59 9.609 -3.396 1.606 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.288 -6.125 1.300 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.620 -5.624 0.277 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.826 -5.003 2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.614 -6.030 3.293 1.00 0.00 H new ATOM 923 N MET A 60 6.760 -3.821 -0.017 1.00 0.00 N ATOM 924 CA MET A 60 6.009 -3.418 -1.210 1.00 0.00 C ATOM 925 C MET A 60 5.975 -1.894 -1.331 1.00 0.00 C ATOM 926 O MET A 60 6.165 -1.347 -2.416 1.00 0.00 O ATOM 927 CB MET A 60 4.570 -3.947 -1.153 1.00 0.00 C ATOM 928 CG MET A 60 4.579 -5.478 -1.206 1.00 0.00 C ATOM 929 SD MET A 60 2.935 -6.107 -0.782 1.00 0.00 S ATOM 930 CE MET A 60 3.134 -7.763 -1.485 1.00 0.00 C ATOM 0 H MET A 60 6.209 -4.318 0.683 1.00 0.00 H new ATOM 0 HA MET A 60 6.513 -3.842 -2.078 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.084 -3.608 -0.238 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.993 -3.548 -1.987 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.864 -5.816 -2.202 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.321 -5.872 -0.512 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.592 -7.825 -2.429 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.192 -7.959 -1.660 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.738 -8.503 -0.790 1.00 0.00 H new ATOM 940 N ILE A 61 5.730 -1.218 -0.200 1.00 0.00 N ATOM 941 CA ILE A 61 5.673 0.245 -0.175 1.00 0.00 C ATOM 942 C ILE A 61 6.954 0.851 -0.750 1.00 0.00 C ATOM 943 O ILE A 61 6.936 1.446 -1.825 1.00 0.00 O ATOM 944 CB ILE A 61 5.479 0.734 1.263 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.080 0.344 1.733 1.00 0.00 C ATOM 946 CG2 ILE A 61 5.645 2.254 1.329 1.00 0.00 C ATOM 947 CD1 ILE A 61 4.123 -0.029 3.211 1.00 0.00 C ATOM 0 H ILE A 61 5.569 -1.661 0.704 1.00 0.00 H new ATOM 0 HA ILE A 61 4.830 0.564 -0.789 1.00 0.00 H new ATOM 0 HB ILE A 61 6.227 0.275 1.909 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.389 1.172 1.576 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.709 -0.496 1.146 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.505 2.591 2.356 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.645 2.526 0.991 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.903 2.729 0.687 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.124 -0.307 3.545 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.801 -0.870 3.354 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.475 0.824 3.791 1.00 0.00 H new ATOM 959 N ASP A 62 8.058 0.699 -0.013 1.00 0.00 N ATOM 960 CA ASP A 62 9.353 1.238 -0.453 1.00 0.00 C ATOM 961 C ASP A 62 9.661 0.839 -1.903 1.00 0.00 C ATOM 962 O ASP A 62 10.251 1.619 -2.654 1.00 0.00 O ATOM 963 CB ASP A 62 10.481 0.731 0.452 1.00 0.00 C ATOM 964 CG ASP A 62 11.622 1.745 0.466 1.00 0.00 C ATOM 965 OD1 ASP A 62 11.582 2.642 1.292 1.00 0.00 O ATOM 966 OD2 ASP A 62 12.520 1.609 -0.350 1.00 0.00 O ATOM 0 H ASP A 62 8.084 0.212 0.883 1.00 0.00 H new ATOM 0 HA ASP A 62 9.290 2.324 -0.391 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.107 0.576 1.464 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.842 -0.233 0.094 1.00 0.00 H new ATOM 971 N GLU A 63 9.257 -0.380 -2.282 1.00 0.00 N ATOM 972 CA GLU A 63 9.492 -0.879 -3.642 1.00 0.00 C ATOM 973 C GLU A 63 8.766 -0.017 -4.680 1.00 0.00 C ATOM 974 O GLU A 63 9.377 0.471 -5.632 1.00 0.00 O ATOM 975 CB GLU A 63 9.003 -2.326 -3.773 1.00 0.00 C ATOM 976 CG GLU A 63 10.138 -3.290 -3.417 1.00 0.00 C ATOM 977 CD GLU A 63 9.650 -4.727 -3.574 1.00 0.00 C ATOM 978 OE1 GLU A 63 9.097 -5.253 -2.622 1.00 0.00 O ATOM 979 OE2 GLU A 63 9.836 -5.281 -4.646 1.00 0.00 O ATOM 0 H GLU A 63 8.769 -1.035 -1.671 1.00 0.00 H new ATOM 0 HA GLU A 63 10.565 -0.832 -3.826 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.151 -2.493 -3.114 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.660 -2.513 -4.791 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.997 -3.113 -4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.470 -3.117 -2.393 1.00 0.00 H new ATOM 986 N VAL A 64 7.454 0.155 -4.487 1.00 0.00 N ATOM 987 CA VAL A 64 6.640 0.952 -5.418 1.00 0.00 C ATOM 988 C VAL A 64 6.898 2.456 -5.256 1.00 0.00 C ATOM 989 O VAL A 64 6.581 3.240 -6.152 1.00 0.00 O ATOM 990 CB VAL A 64 5.140 0.684 -5.209 1.00 0.00 C ATOM 991 CG1 VAL A 64 4.860 -0.820 -5.294 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.705 1.208 -3.836 1.00 0.00 C ATOM 0 H VAL A 64 6.935 -0.241 -3.704 1.00 0.00 H new ATOM 0 HA VAL A 64 6.932 0.648 -6.423 1.00 0.00 H new ATOM 0 HB VAL A 64 4.577 1.199 -5.988 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.796 -1.001 -5.145 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.157 -1.191 -6.275 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.428 -1.340 -4.523 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.642 1.016 -3.693 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.273 0.701 -3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.890 2.281 -3.781 1.00 0.00 H new ATOM 1002 N ASP A 65 7.460 2.856 -4.107 1.00 0.00 N ATOM 1003 CA ASP A 65 7.735 4.270 -3.855 1.00 0.00 C ATOM 1004 C ASP A 65 8.905 4.743 -4.722 1.00 0.00 C ATOM 1005 O ASP A 65 10.064 4.722 -4.303 1.00 0.00 O ATOM 1006 CB ASP A 65 8.064 4.504 -2.372 1.00 0.00 C ATOM 1007 CG ASP A 65 7.389 5.784 -1.874 1.00 0.00 C ATOM 1008 OD1 ASP A 65 7.385 6.764 -2.604 1.00 0.00 O ATOM 1009 OD2 ASP A 65 6.885 5.765 -0.764 1.00 0.00 O ATOM 0 H ASP A 65 7.728 2.228 -3.350 1.00 0.00 H new ATOM 0 HA ASP A 65 6.843 4.841 -4.111 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.728 3.653 -1.779 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.143 4.579 -2.239 1.00 0.00 H new ATOM 1014 N GLU A 66 8.576 5.157 -5.947 1.00 0.00 N ATOM 1015 CA GLU A 66 9.593 5.628 -6.897 1.00 0.00 C ATOM 1016 C GLU A 66 10.105 7.023 -6.523 1.00 0.00 C ATOM 1017 O GLU A 66 11.272 7.348 -6.751 1.00 0.00 O ATOM 1018 CB GLU A 66 9.016 5.681 -8.315 1.00 0.00 C ATOM 1019 CG GLU A 66 8.844 4.256 -8.853 1.00 0.00 C ATOM 1020 CD GLU A 66 7.514 4.143 -9.596 1.00 0.00 C ATOM 1021 OE1 GLU A 66 6.515 3.874 -8.950 1.00 0.00 O ATOM 1022 OE2 GLU A 66 7.515 4.323 -10.804 1.00 0.00 O ATOM 0 H GLU A 66 7.621 5.177 -6.305 1.00 0.00 H new ATOM 0 HA GLU A 66 10.423 4.923 -6.857 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.056 6.197 -8.309 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.679 6.249 -8.967 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.668 4.008 -9.522 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.874 3.541 -8.031 1.00 0.00 H new ATOM 1029 N ASP A 67 9.216 7.845 -5.960 1.00 0.00 N ATOM 1030 CA ASP A 67 9.578 9.211 -5.569 1.00 0.00 C ATOM 1031 C ASP A 67 10.148 9.253 -4.147 1.00 0.00 C ATOM 1032 O ASP A 67 11.163 9.906 -3.896 1.00 0.00 O ATOM 1033 CB ASP A 67 8.358 10.150 -5.656 1.00 0.00 C ATOM 1034 CG ASP A 67 7.123 9.491 -5.037 1.00 0.00 C ATOM 1035 OD1 ASP A 67 6.442 8.771 -5.746 1.00 0.00 O ATOM 1036 OD2 ASP A 67 6.877 9.716 -3.865 1.00 0.00 O ATOM 0 H ASP A 67 8.247 7.592 -5.765 1.00 0.00 H new ATOM 0 HA ASP A 67 10.345 9.551 -6.265 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.575 11.085 -5.139 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.159 10.400 -6.698 1.00 0.00 H new ATOM 1041 N GLY A 68 9.481 8.558 -3.222 1.00 0.00 N ATOM 1042 CA GLY A 68 9.919 8.529 -1.826 1.00 0.00 C ATOM 1043 C GLY A 68 9.545 9.832 -1.123 1.00 0.00 C ATOM 1044 O GLY A 68 10.383 10.469 -0.482 1.00 0.00 O ATOM 0 H GLY A 68 8.641 8.012 -3.413 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.459 7.686 -1.311 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.998 8.380 -1.780 1.00 0.00 H new ATOM 1048 N SER A 69 8.274 10.223 -1.260 1.00 0.00 N ATOM 1049 CA SER A 69 7.786 11.459 -0.645 1.00 0.00 C ATOM 1050 C SER A 69 7.163 11.180 0.724 1.00 0.00 C ATOM 1051 O SER A 69 7.544 11.788 1.727 1.00 0.00 O ATOM 1052 CB SER A 69 6.741 12.131 -1.545 1.00 0.00 C ATOM 1053 OG SER A 69 5.674 11.222 -1.805 1.00 0.00 O ATOM 0 H SER A 69 7.570 9.706 -1.787 1.00 0.00 H new ATOM 0 HA SER A 69 8.640 12.124 -0.519 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.356 13.030 -1.063 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.201 12.444 -2.482 1.00 0.00 H new ATOM 0 HG SER A 69 5.935 10.607 -2.522 1.00 0.00 H new ATOM 1059 N GLY A 70 6.197 10.260 0.751 1.00 0.00 N ATOM 1060 CA GLY A 70 5.512 9.906 1.996 1.00 0.00 C ATOM 1061 C GLY A 70 4.116 9.342 1.717 1.00 0.00 C ATOM 1062 O GLY A 70 3.588 8.552 2.501 1.00 0.00 O ATOM 0 H GLY A 70 5.873 9.749 -0.070 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.102 9.170 2.543 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.431 10.787 2.633 1.00 0.00 H new ATOM 1066 N THR A 71 3.524 9.760 0.591 1.00 0.00 N ATOM 1067 CA THR A 71 2.190 9.293 0.210 1.00 0.00 C ATOM 1068 C THR A 71 2.273 8.415 -1.038 1.00 0.00 C ATOM 1069 O THR A 71 3.173 8.574 -1.867 1.00 0.00 O ATOM 1070 CB THR A 71 1.261 10.482 -0.078 1.00 0.00 C ATOM 1071 OG1 THR A 71 1.759 11.221 -1.188 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.195 11.392 1.150 1.00 0.00 C ATOM 0 H THR A 71 3.946 10.416 -0.066 1.00 0.00 H new ATOM 0 HA THR A 71 1.787 8.714 1.041 1.00 0.00 H new ATOM 0 HB THR A 71 0.263 10.110 -0.308 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.008 11.593 -1.697 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.535 12.235 0.943 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.809 10.829 2.000 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.194 11.762 1.383 1.00 0.00 H new ATOM 1080 N VAL A 72 1.321 7.491 -1.165 1.00 0.00 N ATOM 1081 CA VAL A 72 1.292 6.597 -2.321 1.00 0.00 C ATOM 1082 C VAL A 72 0.313 7.123 -3.365 1.00 0.00 C ATOM 1083 O VAL A 72 -0.894 7.201 -3.124 1.00 0.00 O ATOM 1084 CB VAL A 72 0.871 5.179 -1.914 1.00 0.00 C ATOM 1085 CG1 VAL A 72 0.985 4.243 -3.120 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.781 4.677 -0.790 1.00 0.00 C ATOM 0 H VAL A 72 0.569 7.343 -0.491 1.00 0.00 H new ATOM 0 HA VAL A 72 2.298 6.561 -2.738 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.161 5.195 -1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.686 3.236 -2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.334 4.598 -3.919 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.016 4.227 -3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.481 3.670 -0.502 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.814 4.663 -1.137 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.697 5.341 0.070 1.00 0.00 H new ATOM 1096 N ASP A 73 0.851 7.474 -4.530 1.00 0.00 N ATOM 1097 CA ASP A 73 0.026 7.985 -5.622 1.00 0.00 C ATOM 1098 C ASP A 73 -0.541 6.819 -6.431 1.00 0.00 C ATOM 1099 O ASP A 73 -0.249 5.655 -6.154 1.00 0.00 O ATOM 1100 CB ASP A 73 0.851 8.888 -6.547 1.00 0.00 C ATOM 1101 CG ASP A 73 1.295 10.137 -5.787 1.00 0.00 C ATOM 1102 OD1 ASP A 73 0.439 10.940 -5.453 1.00 0.00 O ATOM 1103 OD2 ASP A 73 2.483 10.275 -5.552 1.00 0.00 O ATOM 0 H ASP A 73 1.847 7.415 -4.742 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.789 8.568 -5.193 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.722 8.347 -6.917 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.259 9.171 -7.417 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.357 7.146 -7.431 1.00 0.00 N ATOM 1109 CA PHE A 74 -1.970 6.121 -8.281 1.00 0.00 C ATOM 1110 C PHE A 74 -0.910 5.347 -9.073 1.00 0.00 C ATOM 1111 O PHE A 74 -1.067 4.153 -9.325 1.00 0.00 O ATOM 1112 CB PHE A 74 -2.960 6.766 -9.259 1.00 0.00 C ATOM 1113 CG PHE A 74 -3.932 5.731 -9.779 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.456 4.755 -8.920 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.313 5.755 -11.123 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.356 3.805 -9.410 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -5.215 4.806 -11.614 1.00 0.00 C ATOM 1118 CZ PHE A 74 -5.738 3.829 -10.756 1.00 0.00 C ATOM 0 H PHE A 74 -1.609 8.104 -7.673 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.497 5.424 -7.629 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.504 7.568 -8.760 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.419 7.217 -10.091 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.164 4.737 -7.880 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.910 6.508 -11.784 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.757 3.051 -8.749 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.508 4.826 -12.653 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.435 3.095 -11.133 1.00 0.00 H new ATOM 1128 N ASP A 75 0.175 6.034 -9.453 1.00 0.00 N ATOM 1129 CA ASP A 75 1.254 5.392 -10.210 1.00 0.00 C ATOM 1130 C ASP A 75 1.947 4.326 -9.359 1.00 0.00 C ATOM 1131 O ASP A 75 2.287 3.249 -9.849 1.00 0.00 O ATOM 1132 CB ASP A 75 2.290 6.429 -10.654 1.00 0.00 C ATOM 1133 CG ASP A 75 1.948 6.919 -12.058 1.00 0.00 C ATOM 1134 OD1 ASP A 75 2.365 6.275 -13.008 1.00 0.00 O ATOM 1135 OD2 ASP A 75 1.270 7.927 -12.163 1.00 0.00 O ATOM 0 H ASP A 75 0.327 7.022 -9.251 1.00 0.00 H new ATOM 0 HA ASP A 75 0.812 4.922 -11.089 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.303 7.267 -9.958 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.288 5.990 -10.643 1.00 0.00 H new ATOM 1140 N GLU A 76 2.129 4.639 -8.072 1.00 0.00 N ATOM 1141 CA GLU A 76 2.765 3.705 -7.133 1.00 0.00 C ATOM 1142 C GLU A 76 1.746 2.669 -6.643 1.00 0.00 C ATOM 1143 O GLU A 76 2.111 1.589 -6.173 1.00 0.00 O ATOM 1144 CB GLU A 76 3.330 4.454 -5.916 1.00 0.00 C ATOM 1145 CG GLU A 76 3.990 5.764 -6.363 1.00 0.00 C ATOM 1146 CD GLU A 76 4.301 6.630 -5.142 1.00 0.00 C ATOM 1147 OE1 GLU A 76 5.090 6.207 -4.317 1.00 0.00 O ATOM 1148 OE2 GLU A 76 3.747 7.712 -5.054 1.00 0.00 O ATOM 0 H GLU A 76 1.847 5.527 -7.657 1.00 0.00 H new ATOM 0 HA GLU A 76 3.578 3.206 -7.660 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.531 4.664 -5.206 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.058 3.828 -5.400 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.907 5.551 -6.912 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.329 6.302 -7.043 1.00 0.00 H new ATOM 1155 N PHE A 77 0.462 3.022 -6.755 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.628 2.143 -6.326 1.00 0.00 C ATOM 1157 C PHE A 77 -0.873 1.028 -7.353 1.00 0.00 C ATOM 1158 O PHE A 77 -1.252 -0.087 -6.992 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.908 2.976 -6.145 1.00 0.00 C ATOM 1160 CG PHE A 77 -3.017 2.131 -5.564 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -3.062 1.867 -4.187 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -4.009 1.619 -6.409 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -4.099 1.088 -3.660 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -5.044 0.840 -5.880 1.00 0.00 C ATOM 1165 CZ PHE A 77 -5.089 0.574 -4.506 1.00 0.00 C ATOM 0 H PHE A 77 0.152 3.914 -7.141 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.351 1.677 -5.380 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.707 3.823 -5.489 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.221 3.385 -7.106 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.298 2.264 -3.535 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.975 1.825 -7.469 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.135 0.883 -2.600 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.809 0.444 -6.532 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.888 -0.028 -4.099 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.661 1.344 -8.637 1.00 0.00 N ATOM 1176 CA LEU A 78 -0.870 0.369 -9.712 1.00 0.00 C ATOM 1177 C LEU A 78 0.327 -0.576 -9.864 1.00 0.00 C ATOM 1178 O LEU A 78 0.152 -1.771 -10.111 1.00 0.00 O ATOM 1179 CB LEU A 78 -1.090 1.097 -11.037 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.327 2.001 -11.092 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.008 3.233 -11.940 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.499 1.237 -11.715 1.00 0.00 C ATOM 0 H LEU A 78 -0.347 2.261 -8.954 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.748 -0.222 -9.449 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.209 1.702 -11.251 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.167 0.355 -11.832 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.600 2.310 -10.083 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.883 3.881 -11.984 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.176 3.777 -11.493 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.737 2.920 -12.948 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.376 1.883 -11.752 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.234 0.926 -12.726 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.722 0.357 -11.111 1.00 0.00 H new ATOM 1194 N VAL A 79 1.544 -0.032 -9.722 1.00 0.00 N ATOM 1195 CA VAL A 79 2.765 -0.848 -9.855 1.00 0.00 C ATOM 1196 C VAL A 79 2.779 -1.997 -8.846 1.00 0.00 C ATOM 1197 O VAL A 79 3.427 -3.018 -9.068 1.00 0.00 O ATOM 1198 CB VAL A 79 4.033 -0.009 -9.654 1.00 0.00 C ATOM 1199 CG1 VAL A 79 4.263 0.875 -10.882 1.00 0.00 C ATOM 1200 CG2 VAL A 79 3.899 0.868 -8.405 1.00 0.00 C ATOM 0 H VAL A 79 1.711 0.953 -9.518 1.00 0.00 H new ATOM 0 HA VAL A 79 2.756 -1.249 -10.868 1.00 0.00 H new ATOM 0 HB VAL A 79 4.882 -0.679 -9.523 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.164 1.471 -10.738 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.380 0.247 -11.765 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.408 1.538 -11.019 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.807 1.458 -8.275 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.045 1.536 -8.519 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.750 0.235 -7.530 1.00 0.00 H new ATOM 1210 N MET A 80 2.056 -1.815 -7.738 1.00 0.00 N ATOM 1211 CA MET A 80 1.974 -2.834 -6.686 1.00 0.00 C ATOM 1212 C MET A 80 1.719 -4.233 -7.264 1.00 0.00 C ATOM 1213 O MET A 80 2.194 -5.231 -6.719 1.00 0.00 O ATOM 1214 CB MET A 80 0.837 -2.493 -5.722 1.00 0.00 C ATOM 1215 CG MET A 80 1.370 -1.636 -4.571 1.00 0.00 C ATOM 1216 SD MET A 80 0.311 -1.853 -3.119 1.00 0.00 S ATOM 1217 CE MET A 80 -1.179 -1.079 -3.797 1.00 0.00 C ATOM 0 H MET A 80 1.518 -0.970 -7.545 1.00 0.00 H new ATOM 0 HA MET A 80 2.932 -2.841 -6.166 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.048 -1.958 -6.251 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.394 -3.408 -5.330 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.394 -1.923 -4.334 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.393 -0.587 -4.865 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.933 -0.993 -3.014 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.934 -0.087 -4.175 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.569 -1.691 -4.610 1.00 0.00 H new ATOM 1227 N MET A 81 0.963 -4.299 -8.365 1.00 0.00 N ATOM 1228 CA MET A 81 0.655 -5.588 -8.989 1.00 0.00 C ATOM 1229 C MET A 81 1.838 -6.106 -9.814 1.00 0.00 C ATOM 1230 O MET A 81 2.261 -7.252 -9.652 1.00 0.00 O ATOM 1231 CB MET A 81 -0.572 -5.466 -9.898 1.00 0.00 C ATOM 1232 CG MET A 81 -1.839 -5.692 -9.071 1.00 0.00 C ATOM 1233 SD MET A 81 -2.998 -6.716 -10.013 1.00 0.00 S ATOM 1234 CE MET A 81 -4.017 -7.249 -8.617 1.00 0.00 C ATOM 0 H MET A 81 0.559 -3.489 -8.835 1.00 0.00 H new ATOM 0 HA MET A 81 0.449 -6.295 -8.186 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.598 -4.480 -10.362 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.515 -6.197 -10.705 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.589 -6.179 -8.129 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.300 -4.736 -8.823 1.00 0.00 H new ATOM 0 HE1 MET A 81 -4.812 -7.904 -8.975 1.00 0.00 H new ATOM 0 HE2 MET A 81 -3.398 -7.788 -7.900 1.00 0.00 H new ATOM 0 HE3 MET A 81 -4.456 -6.377 -8.133 1.00 0.00 H new ATOM 1244 N VAL A 82 2.358 -5.256 -10.708 1.00 0.00 N ATOM 1245 CA VAL A 82 3.487 -5.649 -11.569 1.00 0.00 C ATOM 1246 C VAL A 82 4.751 -5.954 -10.757 1.00 0.00 C ATOM 1247 O VAL A 82 5.506 -6.862 -11.108 1.00 0.00 O ATOM 1248 CB VAL A 82 3.812 -4.566 -12.611 1.00 0.00 C ATOM 1249 CG1 VAL A 82 2.749 -4.580 -13.709 1.00 0.00 C ATOM 1250 CG2 VAL A 82 3.842 -3.183 -11.953 1.00 0.00 C ATOM 0 H VAL A 82 2.023 -4.304 -10.855 1.00 0.00 H new ATOM 0 HA VAL A 82 3.170 -6.557 -12.082 1.00 0.00 H new ATOM 0 HB VAL A 82 4.792 -4.775 -13.040 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.979 -3.812 -14.448 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.738 -5.557 -14.192 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.771 -4.381 -13.271 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.073 -2.428 -12.704 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.869 -2.969 -11.511 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.605 -3.167 -11.175 1.00 0.00 H new ATOM 1260 N ARG A 83 4.980 -5.203 -9.670 1.00 0.00 N ATOM 1261 CA ARG A 83 6.169 -5.439 -8.838 1.00 0.00 C ATOM 1262 C ARG A 83 6.155 -6.858 -8.251 1.00 0.00 C ATOM 1263 O ARG A 83 7.208 -7.431 -7.969 1.00 0.00 O ATOM 1264 CB ARG A 83 6.273 -4.410 -7.701 1.00 0.00 C ATOM 1265 CG ARG A 83 5.042 -4.487 -6.791 1.00 0.00 C ATOM 1266 CD ARG A 83 5.473 -4.343 -5.328 1.00 0.00 C ATOM 1267 NE ARG A 83 6.127 -5.567 -4.855 1.00 0.00 N ATOM 1268 CZ ARG A 83 5.426 -6.659 -4.514 1.00 0.00 C ATOM 1269 NH1 ARG A 83 4.116 -6.672 -4.595 1.00 0.00 N ATOM 1270 NH2 ARG A 83 6.058 -7.727 -4.095 1.00 0.00 N ATOM 0 H ARG A 83 4.375 -4.446 -9.352 1.00 0.00 H new ATOM 0 HA ARG A 83 7.040 -5.330 -9.484 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.175 -4.594 -7.118 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.362 -3.407 -8.118 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.335 -3.699 -7.051 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.528 -5.437 -6.937 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.155 -3.499 -5.226 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.603 -4.127 -4.708 1.00 0.00 H new ATOM 0 HE ARG A 83 7.144 -5.589 -4.783 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.617 -5.844 -4.921 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.597 -7.510 -4.332 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.076 -7.725 -4.030 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.532 -8.561 -3.834 1.00 0.00 H new ATOM 1284 N CYS A 84 4.950 -7.421 -8.091 1.00 0.00 N ATOM 1285 CA CYS A 84 4.806 -8.779 -7.559 1.00 0.00 C ATOM 1286 C CYS A 84 5.001 -9.820 -8.669 1.00 0.00 C ATOM 1287 O CYS A 84 5.445 -10.940 -8.410 1.00 0.00 O ATOM 1288 CB CYS A 84 3.417 -8.967 -6.940 1.00 0.00 C ATOM 1289 SG CYS A 84 3.500 -10.224 -5.639 1.00 0.00 S ATOM 0 H CYS A 84 4.069 -6.961 -8.321 1.00 0.00 H new ATOM 0 HA CYS A 84 5.570 -8.920 -6.794 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.061 -8.023 -6.526 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.703 -9.269 -7.707 1.00 0.00 H new ATOM 0 HG CYS A 84 2.322 -10.382 -5.112 1.00 0.00 H new ATOM 1295 N MET A 85 4.664 -9.434 -9.909 1.00 0.00 N ATOM 1296 CA MET A 85 4.802 -10.334 -11.063 1.00 0.00 C ATOM 1297 C MET A 85 6.259 -10.766 -11.270 1.00 0.00 C ATOM 1298 O MET A 85 6.517 -11.840 -11.817 1.00 0.00 O ATOM 1299 CB MET A 85 4.311 -9.653 -12.346 1.00 0.00 C ATOM 1300 CG MET A 85 2.815 -9.340 -12.233 1.00 0.00 C ATOM 1301 SD MET A 85 1.857 -10.861 -12.449 1.00 0.00 S ATOM 1302 CE MET A 85 0.297 -10.248 -11.766 1.00 0.00 C ATOM 0 H MET A 85 4.296 -8.510 -10.137 1.00 0.00 H new ATOM 0 HA MET A 85 4.194 -11.213 -10.851 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.871 -8.734 -12.517 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.492 -10.301 -13.204 1.00 0.00 H new ATOM 0 HG2 MET A 85 2.598 -8.897 -11.261 1.00 0.00 H new ATOM 0 HG3 MET A 85 2.529 -8.608 -12.988 1.00 0.00 H new ATOM 0 HE1 MET A 85 -0.452 -11.039 -11.802 1.00 0.00 H new ATOM 0 HE2 MET A 85 0.449 -9.939 -10.732 1.00 0.00 H new ATOM 0 HE3 MET A 85 -0.047 -9.396 -12.353 1.00 0.00 H new ATOM 1312 N LYS A 86 7.206 -9.919 -10.835 1.00 0.00 N ATOM 1313 CA LYS A 86 8.636 -10.223 -10.983 1.00 0.00 C ATOM 1314 C LYS A 86 8.948 -11.636 -10.490 1.00 0.00 C ATOM 1315 O LYS A 86 8.728 -11.963 -9.321 1.00 0.00 O ATOM 1316 CB LYS A 86 9.489 -9.231 -10.187 1.00 0.00 C ATOM 1317 CG LYS A 86 9.547 -7.890 -10.924 1.00 0.00 C ATOM 1318 CD LYS A 86 10.140 -6.822 -10.000 1.00 0.00 C ATOM 1319 CE LYS A 86 11.668 -6.912 -10.026 1.00 0.00 C ATOM 1320 NZ LYS A 86 12.224 -6.357 -8.758 1.00 0.00 N ATOM 0 H LYS A 86 7.009 -9.027 -10.382 1.00 0.00 H new ATOM 0 HA LYS A 86 8.875 -10.145 -12.044 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.067 -9.092 -9.192 1.00 0.00 H new ATOM 0 HB3 LYS A 86 10.496 -9.627 -10.054 1.00 0.00 H new ATOM 0 HG2 LYS A 86 10.154 -7.984 -11.824 1.00 0.00 H new ATOM 0 HG3 LYS A 86 8.547 -7.595 -11.243 1.00 0.00 H new ATOM 0 HD2 LYS A 86 9.818 -5.831 -10.320 1.00 0.00 H new ATOM 0 HD3 LYS A 86 9.775 -6.963 -8.983 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.979 -7.950 -10.148 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.060 -6.359 -10.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.262 -6.419 -8.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 11.938 -5.362 -8.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 11.860 -6.903 -7.951 1.00 0.00 H new ATOM 1334 N ASP A 87 9.465 -12.466 -11.399 1.00 0.00 N ATOM 1335 CA ASP A 87 9.809 -13.845 -11.055 1.00 0.00 C ATOM 1336 C ASP A 87 10.906 -14.367 -11.980 1.00 0.00 C ATOM 1337 O ASP A 87 10.632 -14.846 -13.084 1.00 0.00 O ATOM 1338 CB ASP A 87 8.580 -14.755 -11.167 1.00 0.00 C ATOM 1339 CG ASP A 87 8.775 -15.984 -10.285 1.00 0.00 C ATOM 1340 OD1 ASP A 87 9.357 -16.946 -10.762 1.00 0.00 O ATOM 1341 OD2 ASP A 87 8.341 -15.946 -9.145 1.00 0.00 O ATOM 0 H ASP A 87 9.653 -12.210 -12.368 1.00 0.00 H new ATOM 0 HA ASP A 87 10.167 -13.854 -10.026 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.684 -14.214 -10.862 1.00 0.00 H new ATOM 0 HB3 ASP A 87 8.432 -15.058 -12.204 1.00 0.00 H new ATOM 1346 N ASP A 88 12.155 -14.269 -11.515 1.00 0.00 N ATOM 1347 CA ASP A 88 13.296 -14.739 -12.303 1.00 0.00 C ATOM 1348 C ASP A 88 13.226 -16.259 -12.476 1.00 0.00 C ATOM 1349 O ASP A 88 13.612 -17.021 -11.586 1.00 0.00 O ATOM 1350 CB ASP A 88 14.618 -14.364 -11.621 1.00 0.00 C ATOM 1351 CG ASP A 88 15.760 -14.461 -12.630 1.00 0.00 C ATOM 1352 OD1 ASP A 88 16.029 -13.468 -13.287 1.00 0.00 O ATOM 1353 OD2 ASP A 88 16.348 -15.527 -12.731 1.00 0.00 O ATOM 0 H ASP A 88 12.399 -13.873 -10.607 1.00 0.00 H new ATOM 0 HA ASP A 88 13.255 -14.259 -13.281 1.00 0.00 H new ATOM 0 HB2 ASP A 88 14.558 -13.352 -11.220 1.00 0.00 H new ATOM 0 HB3 ASP A 88 14.806 -15.030 -10.779 1.00 0.00 H new ATOM 1358 N SER A 89 12.715 -16.685 -13.634 1.00 0.00 N ATOM 1359 CA SER A 89 12.578 -18.113 -13.926 1.00 0.00 C ATOM 1360 C SER A 89 12.958 -18.411 -15.379 1.00 0.00 C ATOM 1361 O SER A 89 12.450 -17.735 -16.262 1.00 0.00 O ATOM 1362 CB SER A 89 11.137 -18.575 -13.669 1.00 0.00 C ATOM 1363 OG SER A 89 10.235 -17.766 -14.416 1.00 0.00 O ATOM 1364 OXT SER A 89 13.756 -19.310 -15.586 1.00 0.00 O ATOM 0 H SER A 89 12.392 -16.067 -14.378 1.00 0.00 H new ATOM 0 HA SER A 89 13.254 -18.657 -13.267 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.024 -19.621 -13.953 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.907 -18.507 -12.606 1.00 0.00 H new ATOM 0 HG SER A 89 10.671 -17.466 -15.241 1.00 0.00 H new TER 1370 SER A 89 HETATM 1371 CA CA A 90 5.474 8.728 -3.106 1.00 0.00 CA