USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 567 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 67 ASN : amide:sc= 0.0149 K(o=0.015,f=-2.6!) USER MOD Set 1.2: A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 28 SER OG : rot 76:sc= 1.13 USER MOD Set 2.2: A 33 CYS SG : rot -115:sc= 0.888 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.902 K(o=0.9,f=-1.6!) USER MOD Single : A 15 SER OG : rot -133:sc= 1.65 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 29 GLN : amide:sc=-0.00711 X(o=-0.0071,f=-0.48) USER MOD Single : A 34 LYS NZ :NH3+ 152:sc= 1.26 (180deg=1.09) USER MOD Single : A 35 ASN : amide:sc= 1.25 K(o=1.2,f=-1.7) USER MOD Single : A 36 CYS SG : rot 40:sc= -1.63 USER MOD Single : A 37 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00413) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 180:sc= -0.0644 USER MOD Single : A 54 HIS : no HD1:sc= -0.0187 X(o=-0.019,f=-0.11) USER MOD Single : A 56 HIS : no HE2:sc= 0.466 K(o=0.47,f=-2.8!) USER MOD Single : A 58 HIS : no HE2:sc= -0.18 K(o=-0.18,f=-4.2!) USER MOD Single : A 66 MET CE :methyl 166:sc= -1.44 (180deg=-1.9) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -173:sc= 0 (180deg=-0.0214) USER MOD Single : A 74 LYS NZ :NH3+ -167:sc=-0.00838 (180deg=-0.132) USER MOD Single : A 79 ASN : amide:sc= 0.132 X(o=0.13,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N MET A 5 -5.757 -12.424 -0.173 1.00 0.00 N ATOM 63 CA MET A 5 -5.019 -11.485 0.662 1.00 0.00 C ATOM 64 C MET A 5 -4.943 -10.119 -0.019 1.00 0.00 C ATOM 65 O MET A 5 -3.899 -9.733 -0.549 1.00 0.00 O ATOM 66 CB MET A 5 -3.612 -12.018 0.948 1.00 0.00 C ATOM 67 CG MET A 5 -3.604 -13.341 1.698 1.00 0.00 C ATOM 68 SD MET A 5 -1.939 -13.964 1.997 1.00 0.00 S ATOM 69 CE MET A 5 -2.306 -15.487 2.868 1.00 0.00 C ATOM 0 HA MET A 5 -5.545 -11.373 1.610 1.00 0.00 H new ATOM 0 HB2 MET A 5 -3.080 -12.141 0.004 1.00 0.00 H new ATOM 0 HB3 MET A 5 -3.063 -11.277 1.529 1.00 0.00 H new ATOM 0 HG2 MET A 5 -4.117 -13.216 2.652 1.00 0.00 H new ATOM 0 HG3 MET A 5 -4.167 -14.080 1.128 1.00 0.00 H new ATOM 0 HE1 MET A 5 -1.375 -15.993 3.124 1.00 0.00 H new ATOM 0 HE2 MET A 5 -2.859 -15.261 3.780 1.00 0.00 H new ATOM 0 HE3 MET A 5 -2.908 -16.135 2.230 1.00 0.00 H new ATOM 79 N PRO A 6 -6.053 -9.363 -0.002 1.00 0.00 N ATOM 80 CA PRO A 6 -6.151 -8.076 -0.692 1.00 0.00 C ATOM 81 C PRO A 6 -5.455 -6.937 0.040 1.00 0.00 C ATOM 82 O PRO A 6 -5.451 -6.877 1.268 1.00 0.00 O ATOM 83 CB PRO A 6 -7.652 -7.816 -0.733 1.00 0.00 C ATOM 84 CG PRO A 6 -8.204 -8.528 0.452 1.00 0.00 C ATOM 85 CD PRO A 6 -7.310 -9.713 0.693 1.00 0.00 C ATOM 0 HA PRO A 6 -5.665 -8.118 -1.667 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.868 -6.749 -0.687 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.091 -8.191 -1.657 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.224 -7.873 1.323 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.230 -8.847 0.270 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.144 -9.878 1.758 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.745 -10.629 0.293 1.00 0.00 H new ATOM 93 N LYS A 7 -4.878 -6.026 -0.719 1.00 0.00 N ATOM 94 CA LYS A 7 -4.245 -4.848 -0.147 1.00 0.00 C ATOM 95 C LYS A 7 -5.132 -3.629 -0.353 1.00 0.00 C ATOM 96 O LYS A 7 -4.759 -2.507 -0.006 1.00 0.00 O ATOM 97 CB LYS A 7 -2.869 -4.614 -0.771 1.00 0.00 C ATOM 98 CG LYS A 7 -1.821 -5.619 -0.324 1.00 0.00 C ATOM 99 CD LYS A 7 -0.539 -5.484 -1.131 1.00 0.00 C ATOM 100 CE LYS A 7 -0.787 -5.790 -2.595 1.00 0.00 C ATOM 101 NZ LYS A 7 0.453 -5.718 -3.408 1.00 0.00 N ATOM 0 H LYS A 7 -4.833 -6.077 -1.737 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.110 -5.013 0.922 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.960 -4.654 -1.856 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.530 -3.610 -0.517 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.603 -5.473 0.734 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.215 -6.630 -0.432 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.145 -4.473 -1.028 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.217 -6.163 -0.736 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.220 -6.786 -2.686 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.519 -5.086 -2.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.230 -5.935 -4.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.855 -4.761 -3.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.144 -6.408 -3.049 1.00 0.00 H new ATOM 115 N THR A 8 -6.303 -3.864 -0.932 1.00 0.00 N ATOM 116 CA THR A 8 -7.277 -2.815 -1.164 1.00 0.00 C ATOM 117 C THR A 8 -8.342 -2.839 -0.072 1.00 0.00 C ATOM 118 O THR A 8 -8.973 -3.869 0.174 1.00 0.00 O ATOM 119 CB THR A 8 -7.957 -2.997 -2.534 1.00 0.00 C ATOM 120 OG1 THR A 8 -6.966 -3.253 -3.540 1.00 0.00 O ATOM 121 CG2 THR A 8 -8.762 -1.762 -2.913 1.00 0.00 C ATOM 0 H THR A 8 -6.600 -4.786 -1.252 1.00 0.00 H new ATOM 0 HA THR A 8 -6.755 -1.858 -1.149 1.00 0.00 H new ATOM 0 HB THR A 8 -8.638 -3.845 -2.466 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.404 -3.370 -4.409 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.231 -1.918 -3.884 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.532 -1.585 -2.162 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.100 -0.898 -2.964 1.00 0.00 H new ATOM 129 N LEU A 9 -8.526 -1.715 0.599 1.00 0.00 N ATOM 130 CA LEU A 9 -9.540 -1.612 1.633 1.00 0.00 C ATOM 131 C LEU A 9 -10.787 -0.933 1.086 1.00 0.00 C ATOM 132 O LEU A 9 -10.707 0.120 0.449 1.00 0.00 O ATOM 133 CB LEU A 9 -9.017 -0.854 2.862 1.00 0.00 C ATOM 134 CG LEU A 9 -7.991 -1.602 3.729 1.00 0.00 C ATOM 135 CD1 LEU A 9 -8.523 -2.972 4.127 1.00 0.00 C ATOM 136 CD2 LEU A 9 -6.650 -1.725 3.018 1.00 0.00 C ATOM 0 H LEU A 9 -7.987 -0.862 0.446 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.795 -2.623 1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.566 0.079 2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.868 -0.588 3.489 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.831 -1.019 4.636 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.783 -3.486 4.740 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.445 -2.853 4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.722 -3.559 3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.947 -2.259 3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.782 -2.274 2.086 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.261 -0.730 2.801 1.00 0.00 H new ATOM 148 N TYR A 10 -11.927 -1.554 1.330 1.00 0.00 N ATOM 149 CA TYR A 10 -13.206 -1.046 0.867 1.00 0.00 C ATOM 150 C TYR A 10 -13.901 -0.310 1.999 1.00 0.00 C ATOM 151 O TYR A 10 -14.594 -0.919 2.814 1.00 0.00 O ATOM 152 CB TYR A 10 -14.076 -2.210 0.380 1.00 0.00 C ATOM 153 CG TYR A 10 -15.395 -1.803 -0.248 1.00 0.00 C ATOM 154 CD1 TYR A 10 -15.489 -1.580 -1.614 1.00 0.00 C ATOM 155 CD2 TYR A 10 -16.546 -1.656 0.519 1.00 0.00 C ATOM 156 CE1 TYR A 10 -16.685 -1.224 -2.199 1.00 0.00 C ATOM 157 CE2 TYR A 10 -17.748 -1.296 -0.059 1.00 0.00 C ATOM 158 CZ TYR A 10 -17.812 -1.080 -1.420 1.00 0.00 C ATOM 159 OH TYR A 10 -19.008 -0.732 -2.004 1.00 0.00 O ATOM 0 H TYR A 10 -11.992 -2.426 1.855 1.00 0.00 H new ATOM 0 HA TYR A 10 -13.046 -0.354 0.040 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -13.508 -2.790 -0.347 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -14.280 -2.869 1.224 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -14.609 -1.687 -2.230 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -16.499 -1.826 1.584 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -16.739 -1.058 -3.265 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -18.632 -1.184 0.551 1.00 0.00 H new ATOM 0 HH TYR A 10 -19.703 -0.673 -1.316 1.00 0.00 H new ATOM 169 N VAL A 11 -13.696 0.991 2.066 1.00 0.00 N ATOM 170 CA VAL A 11 -14.295 1.790 3.117 1.00 0.00 C ATOM 171 C VAL A 11 -15.553 2.471 2.607 1.00 0.00 C ATOM 172 O VAL A 11 -15.491 3.291 1.700 1.00 0.00 O ATOM 173 CB VAL A 11 -13.329 2.864 3.657 1.00 0.00 C ATOM 174 CG1 VAL A 11 -13.919 3.538 4.890 1.00 0.00 C ATOM 175 CG2 VAL A 11 -11.967 2.259 3.966 1.00 0.00 C ATOM 0 H VAL A 11 -13.121 1.516 1.407 1.00 0.00 H new ATOM 0 HA VAL A 11 -14.537 1.109 3.933 1.00 0.00 H new ATOM 0 HB VAL A 11 -13.191 3.623 2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.225 4.293 5.259 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.865 4.012 4.628 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -14.089 2.792 5.666 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.302 3.035 4.345 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.078 1.477 4.717 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.544 1.831 3.057 1.00 0.00 H new ATOM 185 N GLY A 12 -16.690 2.113 3.180 1.00 0.00 N ATOM 186 CA GLY A 12 -17.936 2.754 2.814 1.00 0.00 C ATOM 187 C GLY A 12 -18.445 3.644 3.924 1.00 0.00 C ATOM 188 O GLY A 12 -17.743 3.837 4.921 1.00 0.00 O ATOM 0 H GLY A 12 -16.774 1.389 3.893 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -17.791 3.345 1.909 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -18.683 1.995 2.583 1.00 0.00 H new ATOM 192 N ASN A 13 -19.658 4.174 3.754 1.00 0.00 N ATOM 193 CA ASN A 13 -20.295 5.040 4.755 1.00 0.00 C ATOM 194 C ASN A 13 -19.637 6.418 4.791 1.00 0.00 C ATOM 195 O ASN A 13 -19.603 7.073 5.836 1.00 0.00 O ATOM 196 CB ASN A 13 -20.247 4.414 6.160 1.00 0.00 C ATOM 197 CG ASN A 13 -21.114 3.175 6.308 1.00 0.00 C ATOM 198 OD1 ASN A 13 -21.380 2.457 5.345 1.00 0.00 O ATOM 199 ND2 ASN A 13 -21.546 2.905 7.530 1.00 0.00 N ATOM 0 H ASN A 13 -20.227 4.017 2.922 1.00 0.00 H new ATOM 0 HA ASN A 13 -21.338 5.150 4.458 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -19.215 4.155 6.397 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -20.565 5.158 6.890 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -22.120 2.078 7.697 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -21.305 3.524 8.304 1.00 0.00 H new ATOM 206 N LEU A 14 -19.129 6.862 3.648 1.00 0.00 N ATOM 207 CA LEU A 14 -18.436 8.147 3.566 1.00 0.00 C ATOM 208 C LEU A 14 -19.417 9.304 3.409 1.00 0.00 C ATOM 209 O LEU A 14 -20.619 9.103 3.224 1.00 0.00 O ATOM 210 CB LEU A 14 -17.438 8.165 2.401 1.00 0.00 C ATOM 211 CG LEU A 14 -16.048 7.586 2.700 1.00 0.00 C ATOM 212 CD1 LEU A 14 -15.389 8.342 3.842 1.00 0.00 C ATOM 213 CD2 LEU A 14 -16.129 6.105 3.018 1.00 0.00 C ATOM 0 H LEU A 14 -19.182 6.354 2.765 1.00 0.00 H new ATOM 0 HA LEU A 14 -17.894 8.273 4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.870 7.609 1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -17.317 9.196 2.067 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.435 7.705 1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.405 7.917 4.039 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.283 9.392 3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.006 8.259 4.737 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -15.130 5.722 3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -16.764 5.955 3.891 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.552 5.573 2.166 1.00 0.00 H new ATOM 225 N SER A 15 -18.887 10.515 3.480 1.00 0.00 N ATOM 226 CA SER A 15 -19.687 11.718 3.336 1.00 0.00 C ATOM 227 C SER A 15 -18.893 12.757 2.553 1.00 0.00 C ATOM 228 O SER A 15 -17.663 12.755 2.579 1.00 0.00 O ATOM 229 CB SER A 15 -20.062 12.261 4.716 1.00 0.00 C ATOM 230 OG SER A 15 -20.956 13.355 4.618 1.00 0.00 O ATOM 0 H SER A 15 -17.895 10.690 3.638 1.00 0.00 H new ATOM 0 HA SER A 15 -20.605 11.487 2.795 1.00 0.00 H new ATOM 0 HB2 SER A 15 -20.519 11.468 5.308 1.00 0.00 H new ATOM 0 HB3 SER A 15 -19.160 12.573 5.243 1.00 0.00 H new ATOM 0 HG SER A 15 -20.651 14.080 5.202 1.00 0.00 H new ATOM 236 N ARG A 16 -19.606 13.636 1.858 1.00 0.00 N ATOM 237 CA ARG A 16 -18.983 14.635 0.990 1.00 0.00 C ATOM 238 C ARG A 16 -18.161 15.653 1.784 1.00 0.00 C ATOM 239 O ARG A 16 -17.343 16.374 1.211 1.00 0.00 O ATOM 240 CB ARG A 16 -20.038 15.359 0.139 1.00 0.00 C ATOM 241 CG ARG A 16 -20.897 16.373 0.894 1.00 0.00 C ATOM 242 CD ARG A 16 -21.838 15.713 1.888 1.00 0.00 C ATOM 243 NE ARG A 16 -22.724 16.678 2.528 1.00 0.00 N ATOM 244 CZ ARG A 16 -23.189 16.553 3.771 1.00 0.00 C ATOM 245 NH1 ARG A 16 -22.847 15.509 4.514 1.00 0.00 N ATOM 246 NH2 ARG A 16 -23.999 17.471 4.275 1.00 0.00 N ATOM 0 H ARG A 16 -20.625 13.679 1.878 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.302 14.099 0.329 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -19.532 15.872 -0.679 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -20.694 14.613 -0.310 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -20.248 17.072 1.422 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -21.479 16.955 0.179 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -22.434 14.958 1.376 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -21.255 15.196 2.650 1.00 0.00 H new ATOM 0 HE ARG A 16 -23.005 17.499 1.992 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -22.224 14.795 4.135 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -23.207 15.420 5.464 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -24.269 18.277 3.712 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -24.353 17.372 5.227 1.00 0.00 H new ATOM 260 N ASP A 17 -18.378 15.715 3.093 1.00 0.00 N ATOM 261 CA ASP A 17 -17.627 16.633 3.943 1.00 0.00 C ATOM 262 C ASP A 17 -16.418 15.932 4.557 1.00 0.00 C ATOM 263 O ASP A 17 -15.591 16.562 5.222 1.00 0.00 O ATOM 264 CB ASP A 17 -18.520 17.223 5.039 1.00 0.00 C ATOM 265 CG ASP A 17 -19.002 16.185 6.030 1.00 0.00 C ATOM 266 OD1 ASP A 17 -18.544 16.207 7.187 1.00 0.00 O ATOM 267 OD2 ASP A 17 -19.843 15.350 5.650 1.00 0.00 O ATOM 0 H ASP A 17 -19.064 15.144 3.587 1.00 0.00 H new ATOM 0 HA ASP A 17 -17.271 17.453 3.319 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -17.969 17.998 5.572 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -19.382 17.705 4.578 1.00 0.00 H new ATOM 272 N VAL A 18 -16.308 14.633 4.325 1.00 0.00 N ATOM 273 CA VAL A 18 -15.139 13.884 4.756 1.00 0.00 C ATOM 274 C VAL A 18 -14.058 13.995 3.692 1.00 0.00 C ATOM 275 O VAL A 18 -14.089 13.286 2.685 1.00 0.00 O ATOM 276 CB VAL A 18 -15.459 12.395 5.007 1.00 0.00 C ATOM 277 CG1 VAL A 18 -14.230 11.666 5.526 1.00 0.00 C ATOM 278 CG2 VAL A 18 -16.616 12.248 5.981 1.00 0.00 C ATOM 0 H VAL A 18 -17.013 14.077 3.841 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.799 14.310 5.700 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.753 11.946 4.059 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -14.474 10.618 5.697 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -13.428 11.736 4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.906 12.121 6.462 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -16.823 11.190 6.143 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -16.354 12.716 6.930 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -17.502 12.733 5.570 1.00 0.00 H new ATOM 288 N THR A 19 -13.115 14.894 3.913 1.00 0.00 N ATOM 289 CA THR A 19 -12.111 15.193 2.913 1.00 0.00 C ATOM 290 C THR A 19 -11.149 14.023 2.720 1.00 0.00 C ATOM 291 O THR A 19 -10.787 13.315 3.668 1.00 0.00 O ATOM 292 CB THR A 19 -11.322 16.471 3.279 1.00 0.00 C ATOM 293 OG1 THR A 19 -10.361 16.765 2.258 1.00 0.00 O ATOM 294 CG2 THR A 19 -10.618 16.330 4.624 1.00 0.00 C ATOM 0 H THR A 19 -13.025 15.429 4.777 1.00 0.00 H new ATOM 0 HA THR A 19 -12.636 15.364 1.973 1.00 0.00 H new ATOM 0 HB THR A 19 -12.036 17.291 3.356 1.00 0.00 H new ATOM 0 HG1 THR A 19 -9.867 17.577 2.498 1.00 0.00 H new ATOM 0 HG21 THR A 19 -10.074 17.248 4.848 1.00 0.00 H new ATOM 0 HG22 THR A 19 -11.357 16.147 5.404 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.919 15.494 4.583 1.00 0.00 H new ATOM 302 N GLU A 20 -10.754 13.841 1.467 1.00 0.00 N ATOM 303 CA GLU A 20 -9.841 12.782 1.056 1.00 0.00 C ATOM 304 C GLU A 20 -8.476 12.966 1.708 1.00 0.00 C ATOM 305 O GLU A 20 -7.759 11.998 1.958 1.00 0.00 O ATOM 306 CB GLU A 20 -9.724 12.803 -0.471 1.00 0.00 C ATOM 307 CG GLU A 20 -8.839 11.716 -1.062 1.00 0.00 C ATOM 308 CD GLU A 20 -8.733 11.827 -2.568 1.00 0.00 C ATOM 309 OE1 GLU A 20 -8.152 12.817 -3.054 1.00 0.00 O ATOM 310 OE2 GLU A 20 -9.233 10.930 -3.277 1.00 0.00 O ATOM 0 H GLU A 20 -11.063 14.433 0.696 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.229 11.816 1.378 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.722 12.710 -0.898 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.335 13.774 -0.777 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.843 11.781 -0.623 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.241 10.738 -0.798 1.00 0.00 H new ATOM 317 N ALA A 21 -8.133 14.214 2.000 1.00 0.00 N ATOM 318 CA ALA A 21 -6.861 14.534 2.627 1.00 0.00 C ATOM 319 C ALA A 21 -6.782 13.943 4.030 1.00 0.00 C ATOM 320 O ALA A 21 -5.731 13.461 4.456 1.00 0.00 O ATOM 321 CB ALA A 21 -6.670 16.040 2.673 1.00 0.00 C ATOM 0 H ALA A 21 -8.723 15.024 1.811 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.061 14.094 2.031 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.715 16.271 3.144 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.680 16.439 1.659 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.478 16.492 3.249 1.00 0.00 H new ATOM 327 N LEU A 22 -7.909 13.962 4.735 1.00 0.00 N ATOM 328 CA LEU A 22 -7.969 13.444 6.096 1.00 0.00 C ATOM 329 C LEU A 22 -7.925 11.923 6.090 1.00 0.00 C ATOM 330 O LEU A 22 -7.155 11.315 6.836 1.00 0.00 O ATOM 331 CB LEU A 22 -9.243 13.931 6.796 1.00 0.00 C ATOM 332 CG LEU A 22 -9.401 13.487 8.251 1.00 0.00 C ATOM 333 CD1 LEU A 22 -8.276 14.046 9.111 1.00 0.00 C ATOM 334 CD2 LEU A 22 -10.755 13.916 8.795 1.00 0.00 C ATOM 0 H LEU A 22 -8.793 14.331 4.385 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.103 13.816 6.644 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.263 15.020 6.762 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.106 13.579 6.230 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.345 12.399 8.284 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.408 13.718 10.142 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.318 13.686 8.736 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.295 15.135 9.072 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.850 13.592 9.831 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.840 15.002 8.745 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.547 13.463 8.199 1.00 0.00 H new ATOM 346 N ILE A 23 -8.755 11.322 5.244 1.00 0.00 N ATOM 347 CA ILE A 23 -8.803 9.870 5.103 1.00 0.00 C ATOM 348 C ILE A 23 -7.422 9.309 4.777 1.00 0.00 C ATOM 349 O ILE A 23 -6.957 8.365 5.418 1.00 0.00 O ATOM 350 CB ILE A 23 -9.811 9.454 4.007 1.00 0.00 C ATOM 351 CG1 ILE A 23 -11.238 9.815 4.432 1.00 0.00 C ATOM 352 CG2 ILE A 23 -9.705 7.964 3.704 1.00 0.00 C ATOM 353 CD1 ILE A 23 -11.686 9.132 5.709 1.00 0.00 C ATOM 0 H ILE A 23 -9.408 11.822 4.641 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.133 9.457 6.056 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.568 10.001 3.096 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.306 10.895 4.565 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.925 9.549 3.628 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.425 7.698 2.930 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.698 7.734 3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.917 7.393 4.608 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.705 9.436 5.946 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.652 8.051 5.575 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -11.023 9.417 6.526 1.00 0.00 H new ATOM 365 N LEU A 24 -6.759 9.916 3.799 1.00 0.00 N ATOM 366 CA LEU A 24 -5.431 9.482 3.393 1.00 0.00 C ATOM 367 C LEU A 24 -4.448 9.551 4.553 1.00 0.00 C ATOM 368 O LEU A 24 -3.684 8.614 4.777 1.00 0.00 O ATOM 369 CB LEU A 24 -4.926 10.329 2.224 1.00 0.00 C ATOM 370 CG LEU A 24 -5.059 9.677 0.845 1.00 0.00 C ATOM 371 CD1 LEU A 24 -4.228 8.404 0.780 1.00 0.00 C ATOM 372 CD2 LEU A 24 -6.517 9.379 0.524 1.00 0.00 C ATOM 0 H LEU A 24 -7.122 10.711 3.273 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.504 8.443 3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.472 11.273 2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.877 10.569 2.396 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.684 10.377 0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.332 7.951 -0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.180 8.644 0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.576 7.703 1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.586 8.916 -0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.923 8.700 1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.088 10.308 0.529 1.00 0.00 H new ATOM 384 N GLN A 25 -4.494 10.646 5.304 1.00 0.00 N ATOM 385 CA GLN A 25 -3.585 10.840 6.428 1.00 0.00 C ATOM 386 C GLN A 25 -3.741 9.717 7.452 1.00 0.00 C ATOM 387 O GLN A 25 -2.756 9.203 7.982 1.00 0.00 O ATOM 388 CB GLN A 25 -3.841 12.185 7.106 1.00 0.00 C ATOM 389 CG GLN A 25 -2.909 12.446 8.277 1.00 0.00 C ATOM 390 CD GLN A 25 -3.345 13.620 9.130 1.00 0.00 C ATOM 391 OE1 GLN A 25 -3.962 14.568 8.640 1.00 0.00 O ATOM 392 NE2 GLN A 25 -3.031 13.566 10.416 1.00 0.00 N ATOM 0 H GLN A 25 -5.150 11.412 5.155 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.568 10.826 6.037 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.726 12.983 6.373 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.873 12.219 7.455 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.856 11.552 8.899 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.903 12.632 7.900 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.519 12.763 10.783 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.301 14.327 11.039 1.00 0.00 H new ATOM 401 N LEU A 26 -4.989 9.339 7.711 1.00 0.00 N ATOM 402 CA LEU A 26 -5.297 8.296 8.679 1.00 0.00 C ATOM 403 C LEU A 26 -4.661 6.968 8.284 1.00 0.00 C ATOM 404 O LEU A 26 -4.122 6.250 9.126 1.00 0.00 O ATOM 405 CB LEU A 26 -6.807 8.142 8.825 1.00 0.00 C ATOM 406 CG LEU A 26 -7.512 9.349 9.436 1.00 0.00 C ATOM 407 CD1 LEU A 26 -8.963 9.018 9.701 1.00 0.00 C ATOM 408 CD2 LEU A 26 -6.821 9.787 10.719 1.00 0.00 C ATOM 0 H LEU A 26 -5.808 9.744 7.259 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.877 8.593 9.640 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.236 7.946 7.842 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.012 7.267 9.442 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.462 10.176 8.728 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.460 9.884 10.137 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.453 8.752 8.764 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.024 8.178 10.393 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.341 10.649 11.136 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.838 8.969 11.439 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.788 10.057 10.502 1.00 0.00 H new ATOM 420 N PHE A 27 -4.705 6.652 6.998 1.00 0.00 N ATOM 421 CA PHE A 27 -4.147 5.400 6.509 1.00 0.00 C ATOM 422 C PHE A 27 -2.624 5.466 6.416 1.00 0.00 C ATOM 423 O PHE A 27 -1.939 4.472 6.665 1.00 0.00 O ATOM 424 CB PHE A 27 -4.759 5.023 5.160 1.00 0.00 C ATOM 425 CG PHE A 27 -6.188 4.567 5.266 1.00 0.00 C ATOM 426 CD1 PHE A 27 -6.493 3.345 5.842 1.00 0.00 C ATOM 427 CD2 PHE A 27 -7.222 5.357 4.797 1.00 0.00 C ATOM 428 CE1 PHE A 27 -7.803 2.919 5.947 1.00 0.00 C ATOM 429 CE2 PHE A 27 -8.534 4.938 4.899 1.00 0.00 C ATOM 430 CZ PHE A 27 -8.825 3.718 5.475 1.00 0.00 C ATOM 0 H PHE A 27 -5.119 7.243 6.277 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.400 4.622 7.229 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.707 5.882 4.492 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.164 4.230 4.707 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.697 2.717 6.214 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.001 6.313 4.346 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.027 1.963 6.397 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.332 5.565 4.528 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.850 3.389 5.556 1.00 0.00 H new ATOM 440 N SER A 28 -2.094 6.638 6.081 1.00 0.00 N ATOM 441 CA SER A 28 -0.647 6.846 6.024 1.00 0.00 C ATOM 442 C SER A 28 -0.030 6.749 7.422 1.00 0.00 C ATOM 443 O SER A 28 1.183 6.577 7.577 1.00 0.00 O ATOM 444 CB SER A 28 -0.338 8.207 5.395 1.00 0.00 C ATOM 445 OG SER A 28 -0.813 8.270 4.058 1.00 0.00 O ATOM 0 H SER A 28 -2.645 7.463 5.844 1.00 0.00 H new ATOM 0 HA SER A 28 -0.207 6.064 5.405 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.800 8.998 5.986 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.738 8.383 5.411 1.00 0.00 H new ATOM 0 HG SER A 28 -1.786 8.386 4.062 1.00 0.00 H new ATOM 451 N GLN A 29 -0.877 6.861 8.434 1.00 0.00 N ATOM 452 CA GLN A 29 -0.455 6.703 9.819 1.00 0.00 C ATOM 453 C GLN A 29 -0.283 5.220 10.159 1.00 0.00 C ATOM 454 O GLN A 29 0.324 4.862 11.172 1.00 0.00 O ATOM 455 CB GLN A 29 -1.488 7.360 10.746 1.00 0.00 C ATOM 456 CG GLN A 29 -1.185 7.216 12.230 1.00 0.00 C ATOM 457 CD GLN A 29 0.127 7.864 12.632 1.00 0.00 C ATOM 458 OE1 GLN A 29 0.553 8.857 12.045 1.00 0.00 O ATOM 459 NE2 GLN A 29 0.778 7.297 13.634 1.00 0.00 N ATOM 0 H GLN A 29 -1.870 7.063 8.321 1.00 0.00 H new ATOM 0 HA GLN A 29 0.508 7.193 9.961 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.553 8.420 10.503 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.467 6.926 10.544 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.996 7.662 12.806 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.155 6.157 12.488 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.389 6.474 14.094 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.669 7.683 13.947 1.00 0.00 H new ATOM 468 N ILE A 30 -0.811 4.361 9.301 1.00 0.00 N ATOM 469 CA ILE A 30 -0.734 2.926 9.519 1.00 0.00 C ATOM 470 C ILE A 30 0.294 2.288 8.589 1.00 0.00 C ATOM 471 O ILE A 30 1.184 1.568 9.041 1.00 0.00 O ATOM 472 CB ILE A 30 -2.101 2.244 9.305 1.00 0.00 C ATOM 473 CG1 ILE A 30 -3.168 2.870 10.211 1.00 0.00 C ATOM 474 CG2 ILE A 30 -1.994 0.746 9.561 1.00 0.00 C ATOM 475 CD1 ILE A 30 -2.870 2.741 11.690 1.00 0.00 C ATOM 0 H ILE A 30 -1.298 4.633 8.447 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.428 2.779 10.555 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.402 2.397 8.269 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.268 3.926 9.961 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.129 2.400 10.002 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.967 0.280 9.406 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.269 0.310 8.873 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.669 0.575 10.587 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.670 3.208 12.264 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.800 1.686 11.956 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.925 3.236 11.915 1.00 0.00 H new ATOM 487 N GLY A 31 0.172 2.554 7.292 1.00 0.00 N ATOM 488 CA GLY A 31 1.077 1.960 6.328 1.00 0.00 C ATOM 489 C GLY A 31 1.290 2.836 5.115 1.00 0.00 C ATOM 490 O GLY A 31 0.590 3.832 4.936 1.00 0.00 O ATOM 0 H GLY A 31 -0.537 3.170 6.893 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.037 1.769 6.807 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.681 0.995 6.010 1.00 0.00 H new ATOM 494 N PRO A 32 2.261 2.487 4.262 1.00 0.00 N ATOM 495 CA PRO A 32 2.521 3.215 3.022 1.00 0.00 C ATOM 496 C PRO A 32 1.401 3.008 2.007 1.00 0.00 C ATOM 497 O PRO A 32 1.251 1.916 1.445 1.00 0.00 O ATOM 498 CB PRO A 32 3.831 2.605 2.501 1.00 0.00 C ATOM 499 CG PRO A 32 4.377 1.797 3.631 1.00 0.00 C ATOM 500 CD PRO A 32 3.191 1.364 4.440 1.00 0.00 C ATOM 0 HA PRO A 32 2.583 4.291 3.185 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.652 1.982 1.625 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.533 3.383 2.201 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.933 0.935 3.262 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.067 2.387 4.235 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.771 0.427 4.075 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.448 1.212 5.488 1.00 0.00 H new ATOM 508 N CYS A 33 0.609 4.045 1.788 1.00 0.00 N ATOM 509 CA CYS A 33 -0.494 3.984 0.844 1.00 0.00 C ATOM 510 C CYS A 33 0.021 4.019 -0.594 1.00 0.00 C ATOM 511 O CYS A 33 0.922 4.789 -0.925 1.00 0.00 O ATOM 512 CB CYS A 33 -1.464 5.140 1.102 1.00 0.00 C ATOM 513 SG CYS A 33 -0.664 6.751 1.271 1.00 0.00 S ATOM 0 H CYS A 33 0.711 4.946 2.256 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.025 3.043 0.985 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.182 5.187 0.283 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.029 4.930 2.010 1.00 0.00 H new ATOM 0 HG CYS A 33 -0.842 7.200 2.478 1.00 0.00 H new ATOM 519 N LYS A 34 -0.543 3.161 -1.432 1.00 0.00 N ATOM 520 CA LYS A 34 -0.141 3.061 -2.827 1.00 0.00 C ATOM 521 C LYS A 34 -1.104 3.831 -3.722 1.00 0.00 C ATOM 522 O LYS A 34 -0.691 4.554 -4.623 1.00 0.00 O ATOM 523 CB LYS A 34 -0.116 1.593 -3.265 1.00 0.00 C ATOM 524 CG LYS A 34 0.296 1.401 -4.717 1.00 0.00 C ATOM 525 CD LYS A 34 -0.119 0.039 -5.258 1.00 0.00 C ATOM 526 CE LYS A 34 -1.635 -0.113 -5.278 1.00 0.00 C ATOM 527 NZ LYS A 34 -2.076 -1.331 -6.008 1.00 0.00 N ATOM 0 H LYS A 34 -1.288 2.518 -1.166 1.00 0.00 H new ATOM 0 HA LYS A 34 0.856 3.490 -2.922 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.573 1.042 -2.624 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.105 1.160 -3.116 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.153 2.185 -5.327 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.377 1.510 -4.804 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.274 -0.089 -6.267 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.319 -0.747 -4.643 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.006 -0.153 -4.254 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.079 0.767 -5.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.986 -1.656 -5.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.187 -1.109 -7.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.364 -2.081 -5.894 1.00 0.00 H new ATOM 541 N ASN A 35 -2.392 3.657 -3.470 1.00 0.00 N ATOM 542 CA ASN A 35 -3.423 4.253 -4.304 1.00 0.00 C ATOM 543 C ASN A 35 -4.637 4.591 -3.455 1.00 0.00 C ATOM 544 O ASN A 35 -4.854 3.979 -2.408 1.00 0.00 O ATOM 545 CB ASN A 35 -3.808 3.282 -5.426 1.00 0.00 C ATOM 546 CG ASN A 35 -4.745 3.895 -6.453 1.00 0.00 C ATOM 547 OD1 ASN A 35 -4.703 5.099 -6.716 1.00 0.00 O ATOM 548 ND2 ASN A 35 -5.590 3.067 -7.043 1.00 0.00 N ATOM 0 H ASN A 35 -2.749 3.105 -2.690 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.042 5.171 -4.752 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.903 2.940 -5.928 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.282 2.403 -4.990 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.241 3.418 -7.746 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.591 2.078 -6.795 1.00 0.00 H new ATOM 555 N CYS A 36 -5.412 5.564 -3.898 1.00 0.00 N ATOM 556 CA CYS A 36 -6.570 6.013 -3.149 1.00 0.00 C ATOM 557 C CYS A 36 -7.607 6.645 -4.068 1.00 0.00 C ATOM 558 O CYS A 36 -7.333 7.643 -4.735 1.00 0.00 O ATOM 559 CB CYS A 36 -6.133 7.009 -2.080 1.00 0.00 C ATOM 560 SG CYS A 36 -5.017 8.302 -2.684 1.00 0.00 S ATOM 0 H CYS A 36 -5.259 6.060 -4.776 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.031 5.148 -2.671 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.019 7.479 -1.653 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -5.640 6.467 -1.273 1.00 0.00 H new ATOM 0 HG CYS A 36 -5.406 8.697 -3.860 1.00 0.00 H new ATOM 566 N LYS A 37 -8.794 6.060 -4.104 1.00 0.00 N ATOM 567 CA LYS A 37 -9.881 6.590 -4.912 1.00 0.00 C ATOM 568 C LYS A 37 -11.153 6.746 -4.101 1.00 0.00 C ATOM 569 O LYS A 37 -11.798 5.763 -3.737 1.00 0.00 O ATOM 570 CB LYS A 37 -10.155 5.703 -6.125 1.00 0.00 C ATOM 571 CG LYS A 37 -9.118 5.833 -7.229 1.00 0.00 C ATOM 572 CD LYS A 37 -8.933 7.281 -7.665 1.00 0.00 C ATOM 573 CE LYS A 37 -10.226 7.898 -8.175 1.00 0.00 C ATOM 574 NZ LYS A 37 -10.684 7.286 -9.450 1.00 0.00 N ATOM 0 H LYS A 37 -9.029 5.216 -3.582 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.565 7.574 -5.258 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.198 4.663 -5.800 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.136 5.951 -6.530 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.165 5.434 -6.881 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.422 5.232 -8.086 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.560 7.867 -6.825 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.176 7.329 -8.448 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.003 7.781 -7.420 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.081 8.968 -8.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.550 7.764 -9.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.942 7.389 -10.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.882 6.276 -9.299 1.00 0.00 H new ATOM 588 N MET A 38 -11.506 7.988 -3.833 1.00 0.00 N ATOM 589 CA MET A 38 -12.753 8.299 -3.157 1.00 0.00 C ATOM 590 C MET A 38 -13.852 8.425 -4.198 1.00 0.00 C ATOM 591 O MET A 38 -13.878 9.382 -4.972 1.00 0.00 O ATOM 592 CB MET A 38 -12.635 9.598 -2.357 1.00 0.00 C ATOM 593 CG MET A 38 -13.919 9.992 -1.643 1.00 0.00 C ATOM 594 SD MET A 38 -13.808 11.605 -0.838 1.00 0.00 S ATOM 595 CE MET A 38 -15.433 11.732 -0.094 1.00 0.00 C ATOM 0 H MET A 38 -10.943 8.804 -4.074 1.00 0.00 H new ATOM 0 HA MET A 38 -12.990 7.498 -2.456 1.00 0.00 H new ATOM 0 HB2 MET A 38 -11.838 9.491 -1.621 1.00 0.00 H new ATOM 0 HB3 MET A 38 -12.341 10.404 -3.030 1.00 0.00 H new ATOM 0 HG2 MET A 38 -14.739 10.005 -2.361 1.00 0.00 H new ATOM 0 HG3 MET A 38 -14.161 9.235 -0.897 1.00 0.00 H new ATOM 0 HE1 MET A 38 -15.516 12.679 0.440 1.00 0.00 H new ATOM 0 HE2 MET A 38 -16.194 11.687 -0.873 1.00 0.00 H new ATOM 0 HE3 MET A 38 -15.579 10.908 0.604 1.00 0.00 H new ATOM 605 N ILE A 39 -14.745 7.452 -4.227 1.00 0.00 N ATOM 606 CA ILE A 39 -15.773 7.397 -5.251 1.00 0.00 C ATOM 607 C ILE A 39 -16.850 8.444 -4.993 1.00 0.00 C ATOM 608 O ILE A 39 -17.778 8.227 -4.208 1.00 0.00 O ATOM 609 CB ILE A 39 -16.407 5.993 -5.336 1.00 0.00 C ATOM 610 CG1 ILE A 39 -15.316 4.933 -5.528 1.00 0.00 C ATOM 611 CG2 ILE A 39 -17.419 5.927 -6.476 1.00 0.00 C ATOM 612 CD1 ILE A 39 -14.459 5.146 -6.761 1.00 0.00 C ATOM 0 H ILE A 39 -14.779 6.688 -3.552 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.295 7.613 -6.207 1.00 0.00 H new ATOM 0 HB ILE A 39 -16.932 5.793 -4.402 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -14.673 4.925 -4.648 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.785 3.951 -5.589 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.854 4.929 -6.519 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.208 6.660 -6.305 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.919 6.145 -7.420 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.712 4.355 -6.826 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.089 5.123 -7.650 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.960 6.113 -6.694 1.00 0.00 H new ATOM 710 N PRO A 47 -21.463 6.681 -0.447 1.00 0.00 N ATOM 711 CA PRO A 47 -20.103 6.945 -0.920 1.00 0.00 C ATOM 712 C PRO A 47 -19.075 6.045 -0.244 1.00 0.00 C ATOM 713 O PRO A 47 -19.143 5.796 0.961 1.00 0.00 O ATOM 714 CB PRO A 47 -19.855 8.415 -0.546 1.00 0.00 C ATOM 715 CG PRO A 47 -21.180 8.957 -0.120 1.00 0.00 C ATOM 716 CD PRO A 47 -21.976 7.784 0.372 1.00 0.00 C ATOM 0 HA PRO A 47 -20.004 6.749 -1.988 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -19.123 8.496 0.258 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -19.459 8.973 -1.395 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -21.061 9.703 0.666 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -21.685 9.448 -0.952 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -21.819 7.606 1.436 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -23.046 7.932 0.228 1.00 0.00 H new ATOM 724 N TYR A 48 -18.120 5.569 -1.026 1.00 0.00 N ATOM 725 CA TYR A 48 -17.090 4.677 -0.521 1.00 0.00 C ATOM 726 C TYR A 48 -15.739 5.037 -1.130 1.00 0.00 C ATOM 727 O TYR A 48 -15.670 5.774 -2.113 1.00 0.00 O ATOM 728 CB TYR A 48 -17.457 3.213 -0.810 1.00 0.00 C ATOM 729 CG TYR A 48 -17.749 2.913 -2.265 1.00 0.00 C ATOM 730 CD1 TYR A 48 -18.968 3.261 -2.837 1.00 0.00 C ATOM 731 CD2 TYR A 48 -16.814 2.266 -3.060 1.00 0.00 C ATOM 732 CE1 TYR A 48 -19.241 2.977 -4.160 1.00 0.00 C ATOM 733 CE2 TYR A 48 -17.082 1.980 -4.385 1.00 0.00 C ATOM 734 CZ TYR A 48 -18.294 2.334 -4.929 1.00 0.00 C ATOM 735 OH TYR A 48 -18.560 2.041 -6.249 1.00 0.00 O ATOM 0 H TYR A 48 -18.037 5.787 -2.019 1.00 0.00 H new ATOM 0 HA TYR A 48 -17.019 4.796 0.560 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -16.638 2.574 -0.478 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -18.331 2.947 -0.215 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -19.713 3.762 -2.236 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -15.862 1.982 -2.637 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -20.191 3.257 -4.590 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -16.342 1.480 -4.992 1.00 0.00 H new ATOM 0 HH TYR A 48 -17.787 1.588 -6.646 1.00 0.00 H new ATOM 745 N CYS A 49 -14.674 4.530 -0.536 1.00 0.00 N ATOM 746 CA CYS A 49 -13.331 4.856 -0.974 1.00 0.00 C ATOM 747 C CYS A 49 -12.482 3.598 -1.095 1.00 0.00 C ATOM 748 O CYS A 49 -12.583 2.685 -0.270 1.00 0.00 O ATOM 749 CB CYS A 49 -12.691 5.828 0.019 1.00 0.00 C ATOM 750 SG CYS A 49 -11.062 6.435 -0.467 1.00 0.00 S ATOM 0 H CYS A 49 -14.715 3.888 0.255 1.00 0.00 H new ATOM 0 HA CYS A 49 -13.387 5.325 -1.957 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -13.357 6.681 0.153 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -12.606 5.334 0.987 1.00 0.00 H new ATOM 0 HG CYS A 49 -10.614 7.250 0.441 1.00 0.00 H new ATOM 756 N PHE A 50 -11.660 3.555 -2.133 1.00 0.00 N ATOM 757 CA PHE A 50 -10.723 2.461 -2.336 1.00 0.00 C ATOM 758 C PHE A 50 -9.320 2.904 -1.959 1.00 0.00 C ATOM 759 O PHE A 50 -8.708 3.714 -2.655 1.00 0.00 O ATOM 760 CB PHE A 50 -10.730 1.996 -3.796 1.00 0.00 C ATOM 761 CG PHE A 50 -11.976 1.271 -4.206 1.00 0.00 C ATOM 762 CD1 PHE A 50 -12.891 1.864 -5.061 1.00 0.00 C ATOM 763 CD2 PHE A 50 -12.226 -0.012 -3.749 1.00 0.00 C ATOM 764 CE1 PHE A 50 -14.031 1.190 -5.450 1.00 0.00 C ATOM 765 CE2 PHE A 50 -13.366 -0.688 -4.134 1.00 0.00 C ATOM 766 CZ PHE A 50 -14.268 -0.088 -4.987 1.00 0.00 C ATOM 0 H PHE A 50 -11.624 4.274 -2.855 1.00 0.00 H new ATOM 0 HA PHE A 50 -11.032 1.630 -1.702 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.599 2.864 -4.442 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.873 1.343 -3.961 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -12.710 2.864 -5.427 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -11.521 -0.489 -3.084 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -14.737 1.663 -6.116 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.552 -1.687 -3.767 1.00 0.00 H new ATOM 0 HZ PHE A 50 -15.158 -0.617 -5.292 1.00 0.00 H new ATOM 776 N VAL A 51 -8.816 2.389 -0.854 1.00 0.00 N ATOM 777 CA VAL A 51 -7.465 2.705 -0.428 1.00 0.00 C ATOM 778 C VAL A 51 -6.577 1.467 -0.499 1.00 0.00 C ATOM 779 O VAL A 51 -6.877 0.435 0.098 1.00 0.00 O ATOM 780 CB VAL A 51 -7.430 3.311 0.996 1.00 0.00 C ATOM 781 CG1 VAL A 51 -7.989 4.727 0.985 1.00 0.00 C ATOM 782 CG2 VAL A 51 -8.208 2.449 1.978 1.00 0.00 C ATOM 0 H VAL A 51 -9.319 1.752 -0.236 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.079 3.459 -1.114 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.390 3.344 1.321 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.957 5.139 1.994 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.390 5.349 0.320 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.020 4.708 0.633 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.166 2.899 2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.247 2.377 1.656 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.770 1.452 2.013 1.00 0.00 H new ATOM 792 N GLU A 52 -5.503 1.566 -1.265 1.00 0.00 N ATOM 793 CA GLU A 52 -4.582 0.453 -1.440 1.00 0.00 C ATOM 794 C GLU A 52 -3.273 0.726 -0.714 1.00 0.00 C ATOM 795 O GLU A 52 -2.744 1.836 -0.772 1.00 0.00 O ATOM 796 CB GLU A 52 -4.297 0.216 -2.924 1.00 0.00 C ATOM 797 CG GLU A 52 -5.528 -0.119 -3.746 1.00 0.00 C ATOM 798 CD GLU A 52 -5.188 -0.398 -5.195 1.00 0.00 C ATOM 799 OE1 GLU A 52 -5.348 0.510 -6.036 1.00 0.00 O ATOM 800 OE2 GLU A 52 -4.733 -1.524 -5.495 1.00 0.00 O ATOM 0 H GLU A 52 -5.246 2.409 -1.778 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.049 -0.438 -1.019 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.827 1.108 -3.340 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.577 -0.597 -3.019 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.024 -0.989 -3.317 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.235 0.709 -3.693 1.00 0.00 H new ATOM 807 N PHE A 53 -2.756 -0.283 -0.034 1.00 0.00 N ATOM 808 CA PHE A 53 -1.481 -0.165 0.663 1.00 0.00 C ATOM 809 C PHE A 53 -0.390 -0.916 -0.083 1.00 0.00 C ATOM 810 O PHE A 53 -0.669 -1.801 -0.889 1.00 0.00 O ATOM 811 CB PHE A 53 -1.589 -0.722 2.083 1.00 0.00 C ATOM 812 CG PHE A 53 -2.315 0.177 3.037 1.00 0.00 C ATOM 813 CD1 PHE A 53 -3.685 0.079 3.196 1.00 0.00 C ATOM 814 CD2 PHE A 53 -1.622 1.114 3.783 1.00 0.00 C ATOM 815 CE1 PHE A 53 -4.352 0.898 4.082 1.00 0.00 C ATOM 816 CE2 PHE A 53 -2.282 1.938 4.670 1.00 0.00 C ATOM 817 CZ PHE A 53 -3.649 1.830 4.820 1.00 0.00 C ATOM 0 H PHE A 53 -3.199 -1.198 0.052 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.225 0.893 0.708 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.100 -1.684 2.047 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.586 -0.908 2.467 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.239 -0.647 2.620 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.552 1.201 3.669 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.422 0.811 4.199 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.730 2.666 5.246 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.169 2.474 5.514 1.00 0.00 H new ATOM 827 N HIS A 54 0.857 -0.552 0.197 1.00 0.00 N ATOM 828 CA HIS A 54 2.008 -1.269 -0.349 1.00 0.00 C ATOM 829 C HIS A 54 2.269 -2.520 0.458 1.00 0.00 C ATOM 830 O HIS A 54 3.071 -3.370 0.070 1.00 0.00 O ATOM 831 CB HIS A 54 3.275 -0.414 -0.304 1.00 0.00 C ATOM 832 CG HIS A 54 3.374 0.611 -1.392 1.00 0.00 C ATOM 833 ND1 HIS A 54 3.816 0.317 -2.665 1.00 0.00 N ATOM 834 CD2 HIS A 54 3.105 1.936 -1.386 1.00 0.00 C ATOM 835 CE1 HIS A 54 3.818 1.419 -3.391 1.00 0.00 C ATOM 836 NE2 HIS A 54 3.388 2.415 -2.640 1.00 0.00 N ATOM 0 H HIS A 54 1.098 0.235 0.799 1.00 0.00 H new ATOM 0 HA HIS A 54 1.772 -1.514 -1.384 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.322 0.093 0.660 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.143 -1.071 -0.361 1.00 0.00 H new ATOM 0 HD2 HIS A 54 2.736 2.511 -0.549 1.00 0.00 H new ATOM 0 HE1 HIS A 54 4.120 1.493 -4.425 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.283 3.383 -2.943 1.00 0.00 H new ATOM 845 N GLU A 55 1.603 -2.615 1.595 1.00 0.00 N ATOM 846 CA GLU A 55 1.919 -3.634 2.564 1.00 0.00 C ATOM 847 C GLU A 55 0.647 -4.207 3.184 1.00 0.00 C ATOM 848 O GLU A 55 -0.046 -3.534 3.951 1.00 0.00 O ATOM 849 CB GLU A 55 2.823 -3.015 3.624 1.00 0.00 C ATOM 850 CG GLU A 55 3.952 -3.920 4.050 1.00 0.00 C ATOM 851 CD GLU A 55 3.470 -5.068 4.894 1.00 0.00 C ATOM 852 OE1 GLU A 55 3.040 -6.093 4.328 1.00 0.00 O ATOM 853 OE2 GLU A 55 3.488 -4.930 6.132 1.00 0.00 O ATOM 0 H GLU A 55 0.839 -1.995 1.865 1.00 0.00 H new ATOM 0 HA GLU A 55 2.436 -4.464 2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.239 -2.084 3.238 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.224 -2.758 4.497 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.458 -4.308 3.166 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.687 -3.342 4.610 1.00 0.00 H new ATOM 860 N HIS A 56 0.355 -5.457 2.844 1.00 0.00 N ATOM 861 CA HIS A 56 -0.856 -6.131 3.300 1.00 0.00 C ATOM 862 C HIS A 56 -0.853 -6.317 4.819 1.00 0.00 C ATOM 863 O HIS A 56 -1.900 -6.240 5.460 1.00 0.00 O ATOM 864 CB HIS A 56 -0.995 -7.486 2.590 1.00 0.00 C ATOM 865 CG HIS A 56 -2.173 -8.307 3.030 1.00 0.00 C ATOM 866 ND1 HIS A 56 -3.468 -8.018 2.671 1.00 0.00 N ATOM 867 CD2 HIS A 56 -2.241 -9.423 3.796 1.00 0.00 C ATOM 868 CE1 HIS A 56 -4.281 -8.917 3.191 1.00 0.00 C ATOM 869 NE2 HIS A 56 -3.563 -9.781 3.879 1.00 0.00 N ATOM 0 H HIS A 56 0.949 -6.031 2.246 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.712 -5.505 3.048 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -1.071 -7.312 1.517 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.085 -8.063 2.756 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -3.756 -7.230 2.092 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.409 -9.935 4.256 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.354 -8.941 3.073 1.00 0.00 H new ATOM 878 N ARG A 57 0.324 -6.542 5.389 1.00 0.00 N ATOM 879 CA ARG A 57 0.449 -6.765 6.827 1.00 0.00 C ATOM 880 C ARG A 57 0.149 -5.478 7.598 1.00 0.00 C ATOM 881 O ARG A 57 -0.292 -5.508 8.750 1.00 0.00 O ATOM 882 CB ARG A 57 1.855 -7.279 7.146 1.00 0.00 C ATOM 883 CG ARG A 57 2.089 -7.614 8.608 1.00 0.00 C ATOM 884 CD ARG A 57 3.510 -8.101 8.829 1.00 0.00 C ATOM 885 NE ARG A 57 3.766 -8.453 10.222 1.00 0.00 N ATOM 886 CZ ARG A 57 4.906 -8.996 10.656 1.00 0.00 C ATOM 887 NH1 ARG A 57 5.883 -9.279 9.807 1.00 0.00 N ATOM 888 NH2 ARG A 57 5.066 -9.258 11.942 1.00 0.00 N ATOM 0 H ARG A 57 1.207 -6.575 4.879 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.278 -7.516 7.138 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.046 -8.170 6.548 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.581 -6.526 6.839 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.902 -6.733 9.222 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.383 -8.381 8.928 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.696 -8.970 8.197 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.210 -7.325 8.518 1.00 0.00 H new ATOM 0 HE ARG A 57 3.030 -8.273 10.905 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.768 -9.082 8.813 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.750 -9.694 10.148 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.319 -9.045 12.603 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.937 -9.673 12.273 1.00 0.00 H new ATOM 902 N HIS A 58 0.371 -4.346 6.941 1.00 0.00 N ATOM 903 CA HIS A 58 0.067 -3.043 7.521 1.00 0.00 C ATOM 904 C HIS A 58 -1.401 -2.700 7.316 1.00 0.00 C ATOM 905 O HIS A 58 -2.031 -2.085 8.174 1.00 0.00 O ATOM 906 CB HIS A 58 0.947 -1.960 6.901 1.00 0.00 C ATOM 907 CG HIS A 58 2.278 -1.808 7.564 1.00 0.00 C ATOM 908 ND1 HIS A 58 3.401 -2.502 7.182 1.00 0.00 N ATOM 909 CD2 HIS A 58 2.667 -1.000 8.571 1.00 0.00 C ATOM 910 CE1 HIS A 58 4.424 -2.117 7.916 1.00 0.00 C ATOM 911 NE2 HIS A 58 4.008 -1.205 8.770 1.00 0.00 N ATOM 0 H HIS A 58 0.763 -4.304 6.000 1.00 0.00 H new ATOM 0 HA HIS A 58 0.272 -3.090 8.590 1.00 0.00 H new ATOM 0 HB2 HIS A 58 1.101 -2.190 5.847 1.00 0.00 H new ATOM 0 HB3 HIS A 58 0.419 -1.007 6.945 1.00 0.00 H new ATOM 0 HD1 HIS A 58 3.436 -3.206 6.445 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.037 -0.316 9.121 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.435 -2.487 7.832 1.00 0.00 H new ATOM 920 N ALA A 59 -1.942 -3.119 6.176 1.00 0.00 N ATOM 921 CA ALA A 59 -3.341 -2.875 5.844 1.00 0.00 C ATOM 922 C ALA A 59 -4.271 -3.496 6.881 1.00 0.00 C ATOM 923 O ALA A 59 -5.323 -2.940 7.201 1.00 0.00 O ATOM 924 CB ALA A 59 -3.645 -3.427 4.463 1.00 0.00 C ATOM 0 H ALA A 59 -1.427 -3.633 5.461 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.512 -1.799 5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.691 -3.242 4.220 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.009 -2.936 3.727 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.453 -4.500 4.450 1.00 0.00 H new ATOM 930 N ALA A 60 -3.861 -4.644 7.411 1.00 0.00 N ATOM 931 CA ALA A 60 -4.629 -5.353 8.430 1.00 0.00 C ATOM 932 C ALA A 60 -4.829 -4.498 9.678 1.00 0.00 C ATOM 933 O ALA A 60 -5.871 -4.569 10.334 1.00 0.00 O ATOM 934 CB ALA A 60 -3.921 -6.645 8.790 1.00 0.00 C ATOM 0 H ALA A 60 -2.991 -5.108 7.148 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.615 -5.575 8.021 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.495 -7.174 9.551 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.832 -7.271 7.902 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.927 -6.420 9.176 1.00 0.00 H new ATOM 940 N ALA A 61 -3.828 -3.691 10.003 1.00 0.00 N ATOM 941 CA ALA A 61 -3.896 -2.824 11.168 1.00 0.00 C ATOM 942 C ALA A 61 -4.819 -1.645 10.892 1.00 0.00 C ATOM 943 O ALA A 61 -5.544 -1.184 11.774 1.00 0.00 O ATOM 944 CB ALA A 61 -2.504 -2.344 11.551 1.00 0.00 C ATOM 0 H ALA A 61 -2.959 -3.620 9.474 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.304 -3.390 12.006 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.570 -1.696 12.425 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.874 -3.203 11.783 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.069 -1.789 10.720 1.00 0.00 H new ATOM 950 N ALA A 62 -4.802 -1.182 9.647 1.00 0.00 N ATOM 951 CA ALA A 62 -5.638 -0.065 9.232 1.00 0.00 C ATOM 952 C ALA A 62 -7.106 -0.451 9.277 1.00 0.00 C ATOM 953 O ALA A 62 -7.961 0.372 9.597 1.00 0.00 O ATOM 954 CB ALA A 62 -5.253 0.394 7.835 1.00 0.00 C ATOM 0 H ALA A 62 -4.215 -1.566 8.906 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.478 0.761 9.925 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.887 1.230 7.539 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.210 0.711 7.831 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.385 -0.429 7.132 1.00 0.00 H new ATOM 960 N LEU A 63 -7.387 -1.713 8.961 1.00 0.00 N ATOM 961 CA LEU A 63 -8.751 -2.222 8.979 1.00 0.00 C ATOM 962 C LEU A 63 -9.394 -1.979 10.341 1.00 0.00 C ATOM 963 O LEU A 63 -10.373 -1.251 10.452 1.00 0.00 O ATOM 964 CB LEU A 63 -8.772 -3.720 8.670 1.00 0.00 C ATOM 965 CG LEU A 63 -10.162 -4.306 8.407 1.00 0.00 C ATOM 966 CD1 LEU A 63 -10.485 -4.270 6.924 1.00 0.00 C ATOM 967 CD2 LEU A 63 -10.260 -5.719 8.952 1.00 0.00 C ATOM 0 H LEU A 63 -6.685 -2.401 8.689 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.317 -1.691 8.214 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.145 -3.905 7.798 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.321 -4.255 9.506 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.898 -3.693 8.928 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.477 -4.691 6.757 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.464 -3.239 6.572 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.746 -4.855 6.376 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.255 -6.117 8.755 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.515 -6.349 8.466 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.080 -5.708 10.027 1.00 0.00 H new ATOM 979 N ALA A 64 -8.810 -2.567 11.380 1.00 0.00 N ATOM 980 CA ALA A 64 -9.381 -2.507 12.722 1.00 0.00 C ATOM 981 C ALA A 64 -9.338 -1.094 13.300 1.00 0.00 C ATOM 982 O ALA A 64 -10.192 -0.716 14.105 1.00 0.00 O ATOM 983 CB ALA A 64 -8.654 -3.475 13.646 1.00 0.00 C ATOM 0 H ALA A 64 -7.938 -3.093 11.318 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.429 -2.797 12.645 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.089 -3.421 14.644 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.754 -4.490 13.261 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.598 -3.208 13.695 1.00 0.00 H new ATOM 989 N ALA A 65 -8.351 -0.315 12.882 1.00 0.00 N ATOM 990 CA ALA A 65 -8.162 1.027 13.417 1.00 0.00 C ATOM 991 C ALA A 65 -9.140 2.028 12.807 1.00 0.00 C ATOM 992 O ALA A 65 -9.428 3.067 13.402 1.00 0.00 O ATOM 993 CB ALA A 65 -6.730 1.486 13.191 1.00 0.00 C ATOM 0 H ALA A 65 -7.669 -0.588 12.175 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.362 0.984 14.488 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.602 2.490 13.595 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.045 0.802 13.693 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.515 1.495 12.122 1.00 0.00 H new ATOM 999 N MET A 66 -9.650 1.723 11.620 1.00 0.00 N ATOM 1000 CA MET A 66 -10.526 2.656 10.922 1.00 0.00 C ATOM 1001 C MET A 66 -11.950 2.124 10.791 1.00 0.00 C ATOM 1002 O MET A 66 -12.887 2.897 10.645 1.00 0.00 O ATOM 1003 CB MET A 66 -9.955 2.982 9.544 1.00 0.00 C ATOM 1004 CG MET A 66 -8.544 3.543 9.599 1.00 0.00 C ATOM 1005 SD MET A 66 -8.420 5.018 10.626 1.00 0.00 S ATOM 1006 CE MET A 66 -6.643 5.180 10.765 1.00 0.00 C ATOM 0 H MET A 66 -9.475 0.848 11.125 1.00 0.00 H new ATOM 0 HA MET A 66 -10.575 3.566 11.520 1.00 0.00 H new ATOM 0 HB2 MET A 66 -9.957 2.079 8.934 1.00 0.00 H new ATOM 0 HB3 MET A 66 -10.606 3.702 9.049 1.00 0.00 H new ATOM 0 HG2 MET A 66 -7.869 2.779 9.985 1.00 0.00 H new ATOM 0 HG3 MET A 66 -8.212 3.780 8.588 1.00 0.00 H new ATOM 0 HE1 MET A 66 -6.397 6.168 11.153 1.00 0.00 H new ATOM 0 HE2 MET A 66 -6.260 4.418 11.444 1.00 0.00 H new ATOM 0 HE3 MET A 66 -6.188 5.052 9.783 1.00 0.00 H new ATOM 1016 N ASN A 67 -12.120 0.808 10.830 1.00 0.00 N ATOM 1017 CA ASN A 67 -13.452 0.219 10.719 1.00 0.00 C ATOM 1018 C ASN A 67 -14.309 0.584 11.923 1.00 0.00 C ATOM 1019 O ASN A 67 -13.918 0.356 13.068 1.00 0.00 O ATOM 1020 CB ASN A 67 -13.374 -1.302 10.569 1.00 0.00 C ATOM 1021 CG ASN A 67 -14.738 -1.965 10.617 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -15.446 -2.033 9.613 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -15.109 -2.472 11.781 1.00 0.00 N ATOM 0 H ASN A 67 -11.362 0.133 10.936 1.00 0.00 H new ATOM 0 HA ASN A 67 -13.918 0.628 9.823 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.889 -1.546 9.624 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -12.748 -1.710 11.363 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -16.011 -2.940 11.869 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.493 -2.395 12.590 1.00 0.00 H new ATOM 1030 N GLY A 68 -15.469 1.169 11.652 1.00 0.00 N ATOM 1031 CA GLY A 68 -16.374 1.552 12.715 1.00 0.00 C ATOM 1032 C GLY A 68 -15.991 2.873 13.339 1.00 0.00 C ATOM 1033 O GLY A 68 -16.534 3.265 14.371 1.00 0.00 O ATOM 0 H GLY A 68 -15.799 1.385 10.711 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -17.388 1.618 12.321 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.380 0.778 13.482 1.00 0.00 H new ATOM 1037 N ARG A 69 -15.053 3.563 12.710 1.00 0.00 N ATOM 1038 CA ARG A 69 -14.560 4.828 13.225 1.00 0.00 C ATOM 1039 C ARG A 69 -15.528 5.942 12.859 1.00 0.00 C ATOM 1040 O ARG A 69 -16.013 6.007 11.729 1.00 0.00 O ATOM 1041 CB ARG A 69 -13.175 5.117 12.649 1.00 0.00 C ATOM 1042 CG ARG A 69 -12.472 6.310 13.266 1.00 0.00 C ATOM 1043 CD ARG A 69 -11.087 6.476 12.671 1.00 0.00 C ATOM 1044 NE ARG A 69 -10.308 7.498 13.359 1.00 0.00 N ATOM 1045 CZ ARG A 69 -9.103 7.273 13.883 1.00 0.00 C ATOM 1046 NH1 ARG A 69 -8.578 6.056 13.834 1.00 0.00 N ATOM 1047 NH2 ARG A 69 -8.435 8.254 14.472 1.00 0.00 N ATOM 0 H ARG A 69 -14.617 3.265 11.837 1.00 0.00 H new ATOM 0 HA ARG A 69 -14.482 4.771 14.311 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.549 4.234 12.782 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.269 5.282 11.576 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.058 7.213 13.096 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -12.397 6.177 14.345 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.557 5.525 12.719 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -11.176 6.738 11.617 1.00 0.00 H new ATOM 0 HE ARG A 69 -10.705 8.434 13.444 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.096 5.294 13.396 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.656 5.882 14.234 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.842 9.188 14.526 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.513 8.076 14.871 1.00 0.00 H new ATOM 1061 N LYS A 70 -15.825 6.800 13.816 1.00 0.00 N ATOM 1062 CA LYS A 70 -16.729 7.902 13.572 1.00 0.00 C ATOM 1063 C LYS A 70 -15.951 9.112 13.080 1.00 0.00 C ATOM 1064 O LYS A 70 -15.068 9.628 13.772 1.00 0.00 O ATOM 1065 CB LYS A 70 -17.522 8.241 14.832 1.00 0.00 C ATOM 1066 CG LYS A 70 -18.659 9.217 14.578 1.00 0.00 C ATOM 1067 CD LYS A 70 -19.507 9.428 15.818 1.00 0.00 C ATOM 1068 CE LYS A 70 -20.697 10.322 15.519 1.00 0.00 C ATOM 1069 NZ LYS A 70 -21.552 10.528 16.716 1.00 0.00 N ATOM 0 H LYS A 70 -15.454 6.754 14.765 1.00 0.00 H new ATOM 0 HA LYS A 70 -17.440 7.607 12.800 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -17.928 7.323 15.256 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -16.847 8.665 15.576 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -18.251 10.173 14.250 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -19.286 8.843 13.768 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -19.856 8.466 16.192 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -18.901 9.875 16.606 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -20.343 11.287 15.155 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -21.292 9.879 14.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -22.353 11.144 16.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -21.911 9.610 17.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -20.992 10.974 17.470 1.00 0.00 H new ATOM 1083 N ILE A 71 -16.265 9.545 11.871 1.00 0.00 N ATOM 1084 CA ILE A 71 -15.571 10.660 11.249 1.00 0.00 C ATOM 1085 C ILE A 71 -16.574 11.712 10.795 1.00 0.00 C ATOM 1086 O ILE A 71 -17.518 11.399 10.067 1.00 0.00 O ATOM 1087 CB ILE A 71 -14.725 10.196 10.039 1.00 0.00 C ATOM 1088 CG1 ILE A 71 -13.730 9.111 10.468 1.00 0.00 C ATOM 1089 CG2 ILE A 71 -13.991 11.380 9.417 1.00 0.00 C ATOM 1090 CD1 ILE A 71 -12.919 8.538 9.326 1.00 0.00 C ATOM 0 H ILE A 71 -17.003 9.137 11.296 1.00 0.00 H new ATOM 0 HA ILE A 71 -14.899 11.089 11.992 1.00 0.00 H new ATOM 0 HB ILE A 71 -15.394 9.774 9.289 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -13.050 9.528 11.210 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -14.276 8.303 10.955 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -13.401 11.037 8.567 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -14.716 12.121 9.079 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.331 11.830 10.159 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.239 7.777 9.709 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.589 8.089 8.593 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.344 9.334 8.853 1.00 0.00 H new ATOM 1102 N MET A 72 -16.365 12.949 11.249 1.00 0.00 N ATOM 1103 CA MET A 72 -17.250 14.078 10.941 1.00 0.00 C ATOM 1104 C MET A 72 -18.622 13.887 11.584 1.00 0.00 C ATOM 1105 O MET A 72 -18.924 14.487 12.616 1.00 0.00 O ATOM 1106 CB MET A 72 -17.395 14.289 9.427 1.00 0.00 C ATOM 1107 CG MET A 72 -16.088 14.609 8.717 1.00 0.00 C ATOM 1108 SD MET A 72 -15.304 16.112 9.330 1.00 0.00 S ATOM 1109 CE MET A 72 -13.817 16.141 8.333 1.00 0.00 C ATOM 0 H MET A 72 -15.574 13.199 11.843 1.00 0.00 H new ATOM 0 HA MET A 72 -16.790 14.973 11.360 1.00 0.00 H new ATOM 0 HB2 MET A 72 -17.826 13.390 8.985 1.00 0.00 H new ATOM 0 HB3 MET A 72 -18.101 15.101 9.250 1.00 0.00 H new ATOM 0 HG2 MET A 72 -15.401 13.772 8.838 1.00 0.00 H new ATOM 0 HG3 MET A 72 -16.277 14.714 7.649 1.00 0.00 H new ATOM 0 HE1 MET A 72 -13.163 16.942 8.678 1.00 0.00 H new ATOM 0 HE2 MET A 72 -13.299 15.186 8.424 1.00 0.00 H new ATOM 0 HE3 MET A 72 -14.082 16.313 7.290 1.00 0.00 H new ATOM 1119 N GLY A 73 -19.438 13.037 10.983 1.00 0.00 N ATOM 1120 CA GLY A 73 -20.754 12.762 11.519 1.00 0.00 C ATOM 1121 C GLY A 73 -21.291 11.426 11.052 1.00 0.00 C ATOM 1122 O GLY A 73 -22.500 11.203 11.050 1.00 0.00 O ATOM 0 H GLY A 73 -19.211 12.529 10.128 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -20.711 12.774 12.608 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -21.440 13.553 11.218 1.00 0.00 H new ATOM 1126 N LYS A 74 -20.391 10.536 10.655 1.00 0.00 N ATOM 1127 CA LYS A 74 -20.780 9.226 10.147 1.00 0.00 C ATOM 1128 C LYS A 74 -19.849 8.141 10.668 1.00 0.00 C ATOM 1129 O LYS A 74 -18.702 8.414 11.029 1.00 0.00 O ATOM 1130 CB LYS A 74 -20.772 9.222 8.616 1.00 0.00 C ATOM 1131 CG LYS A 74 -21.956 9.943 7.998 1.00 0.00 C ATOM 1132 CD LYS A 74 -21.864 9.970 6.482 1.00 0.00 C ATOM 1133 CE LYS A 74 -23.155 10.466 5.853 1.00 0.00 C ATOM 1134 NZ LYS A 74 -24.252 9.469 5.986 1.00 0.00 N ATOM 0 H LYS A 74 -19.384 10.698 10.675 1.00 0.00 H new ATOM 0 HA LYS A 74 -21.790 9.017 10.500 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -19.851 9.687 8.265 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -20.762 8.190 8.264 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -22.880 9.450 8.298 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -22.001 10.963 8.379 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -21.039 10.615 6.178 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -21.639 8.969 6.112 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -23.454 11.401 6.326 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -22.986 10.682 4.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -25.042 9.737 5.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -23.901 8.529 5.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -24.581 9.444 6.972 1.00 0.00 H new ATOM 1148 N GLU A 75 -20.363 6.920 10.712 1.00 0.00 N ATOM 1149 CA GLU A 75 -19.588 5.771 11.142 1.00 0.00 C ATOM 1150 C GLU A 75 -19.117 4.992 9.923 1.00 0.00 C ATOM 1151 O GLU A 75 -19.924 4.364 9.240 1.00 0.00 O ATOM 1152 CB GLU A 75 -20.442 4.871 12.032 1.00 0.00 C ATOM 1153 CG GLU A 75 -21.117 5.609 13.175 1.00 0.00 C ATOM 1154 CD GLU A 75 -21.985 4.700 14.018 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -21.659 4.495 15.206 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -22.996 4.181 13.498 1.00 0.00 O ATOM 0 H GLU A 75 -21.325 6.701 10.451 1.00 0.00 H new ATOM 0 HA GLU A 75 -18.723 6.113 11.710 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -21.205 4.389 11.421 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -19.815 4.079 12.442 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -20.356 6.068 13.806 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -21.727 6.417 12.772 1.00 0.00 H new ATOM 1163 N VAL A 76 -17.821 5.034 9.655 1.00 0.00 N ATOM 1164 CA VAL A 76 -17.269 4.422 8.450 1.00 0.00 C ATOM 1165 C VAL A 76 -17.124 2.911 8.607 1.00 0.00 C ATOM 1166 O VAL A 76 -17.145 2.383 9.719 1.00 0.00 O ATOM 1167 CB VAL A 76 -15.893 5.012 8.098 1.00 0.00 C ATOM 1168 CG1 VAL A 76 -15.969 6.525 7.976 1.00 0.00 C ATOM 1169 CG2 VAL A 76 -14.869 4.598 9.138 1.00 0.00 C ATOM 0 H VAL A 76 -17.129 5.485 10.254 1.00 0.00 H new ATOM 0 HA VAL A 76 -17.972 4.637 7.646 1.00 0.00 H new ATOM 0 HB VAL A 76 -15.580 4.619 7.131 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -14.984 6.920 7.727 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.676 6.792 7.191 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -16.301 6.950 8.923 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -13.898 5.020 8.881 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -15.176 4.965 10.117 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -14.796 3.511 9.164 1.00 0.00 H new ATOM 1179 N LYS A 77 -16.957 2.222 7.487 1.00 0.00 N ATOM 1180 CA LYS A 77 -16.804 0.775 7.491 1.00 0.00 C ATOM 1181 C LYS A 77 -15.689 0.339 6.557 1.00 0.00 C ATOM 1182 O LYS A 77 -15.768 0.543 5.350 1.00 0.00 O ATOM 1183 CB LYS A 77 -18.117 0.114 7.083 1.00 0.00 C ATOM 1184 CG LYS A 77 -19.163 0.136 8.181 1.00 0.00 C ATOM 1185 CD LYS A 77 -18.926 -0.979 9.191 1.00 0.00 C ATOM 1186 CE LYS A 77 -18.831 -2.336 8.500 1.00 0.00 C ATOM 1187 NZ LYS A 77 -18.659 -3.456 9.463 1.00 0.00 N ATOM 0 H LYS A 77 -16.924 2.645 6.559 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.540 0.462 8.501 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.513 0.620 6.203 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -17.922 -0.919 6.796 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -19.141 1.100 8.688 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -20.156 0.029 7.743 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -18.007 -0.784 9.744 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -19.738 -0.994 9.918 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -19.732 -2.504 7.910 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -17.992 -2.328 7.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -18.600 -4.355 8.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -17.785 -3.314 10.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -19.472 -3.484 10.112 1.00 0.00 H new ATOM 1201 N VAL A 78 -14.658 -0.268 7.124 1.00 0.00 N ATOM 1202 CA VAL A 78 -13.514 -0.720 6.348 1.00 0.00 C ATOM 1203 C VAL A 78 -13.599 -2.221 6.125 1.00 0.00 C ATOM 1204 O VAL A 78 -13.485 -3.006 7.067 1.00 0.00 O ATOM 1205 CB VAL A 78 -12.178 -0.381 7.045 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -11.001 -0.777 6.167 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -12.112 1.098 7.389 1.00 0.00 C ATOM 0 H VAL A 78 -14.590 -0.460 8.124 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.540 -0.198 5.391 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.123 -0.951 7.972 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.069 -0.530 6.675 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.036 -1.849 5.973 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.053 -0.236 5.222 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.163 1.316 7.879 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.192 1.688 6.476 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.933 1.353 8.059 1.00 0.00 H new ATOM 1217 N ASN A 79 -13.819 -2.609 4.882 1.00 0.00 N ATOM 1218 CA ASN A 79 -13.933 -4.014 4.529 1.00 0.00 C ATOM 1219 C ASN A 79 -12.769 -4.417 3.639 1.00 0.00 C ATOM 1220 O ASN A 79 -12.050 -3.562 3.123 1.00 0.00 O ATOM 1221 CB ASN A 79 -15.248 -4.274 3.784 1.00 0.00 C ATOM 1222 CG ASN A 79 -16.460 -3.686 4.485 1.00 0.00 C ATOM 1223 OD1 ASN A 79 -17.070 -4.322 5.343 1.00 0.00 O ATOM 1224 ND2 ASN A 79 -16.821 -2.467 4.109 1.00 0.00 N ATOM 0 H ASN A 79 -13.923 -1.968 4.096 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.919 -4.603 5.446 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.178 -3.855 2.780 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -15.388 -5.349 3.671 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -17.633 -2.021 4.536 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -16.286 -1.975 3.393 1.00 0.00 H new ATOM 1231 N TRP A 80 -12.585 -5.712 3.457 1.00 0.00 N ATOM 1232 CA TRP A 80 -11.552 -6.211 2.560 1.00 0.00 C ATOM 1233 C TRP A 80 -12.062 -6.234 1.127 1.00 0.00 C ATOM 1234 O TRP A 80 -13.013 -6.951 0.815 1.00 0.00 O ATOM 1235 CB TRP A 80 -11.107 -7.618 2.962 1.00 0.00 C ATOM 1236 CG TRP A 80 -10.461 -7.693 4.308 1.00 0.00 C ATOM 1237 CD1 TRP A 80 -11.038 -8.113 5.469 1.00 0.00 C ATOM 1238 CD2 TRP A 80 -9.112 -7.337 4.634 1.00 0.00 C ATOM 1239 NE1 TRP A 80 -10.130 -8.050 6.497 1.00 0.00 N ATOM 1240 CE2 TRP A 80 -8.940 -7.577 6.009 1.00 0.00 C ATOM 1241 CE3 TRP A 80 -8.032 -6.848 3.896 1.00 0.00 C ATOM 1242 CZ2 TRP A 80 -7.732 -7.340 6.662 1.00 0.00 C ATOM 1243 CZ3 TRP A 80 -6.836 -6.611 4.545 1.00 0.00 C ATOM 1244 CH2 TRP A 80 -6.693 -6.858 5.914 1.00 0.00 C ATOM 0 H TRP A 80 -13.135 -6.438 3.916 1.00 0.00 H new ATOM 0 HA TRP A 80 -10.697 -5.539 2.632 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -11.974 -8.279 2.950 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -10.409 -7.994 2.214 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -12.061 -8.447 5.566 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -10.312 -8.312 7.466 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -8.130 -6.659 2.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -7.620 -7.530 7.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -5.996 -6.228 3.985 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -5.743 -6.664 6.390 1.00 0.00 H new ATOM 1255 N ALA A 81 -11.444 -5.438 0.271 1.00 0.00 N ATOM 1256 CA ALA A 81 -11.764 -5.449 -1.146 1.00 0.00 C ATOM 1257 C ALA A 81 -10.715 -6.257 -1.887 1.00 0.00 C ATOM 1258 O ALA A 81 -9.589 -5.793 -2.075 1.00 0.00 O ATOM 1259 CB ALA A 81 -11.837 -4.031 -1.697 1.00 0.00 C ATOM 0 H ALA A 81 -10.716 -4.774 0.534 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.742 -5.909 -1.288 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -12.078 -4.065 -2.759 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.610 -3.474 -1.168 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.875 -3.537 -1.559 1.00 0.00 H new