USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1011 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 7 LYS NZ :NH3+ -174:sc= 1.2 (180deg=0) USER MOD Set 1.2: A 31 ASN : amide:sc= 0.315 K(o=2.9,f=-3.6!) USER MOD Set 1.3: A 32 ASN : amide:sc= 1.42 K(o=2.9,f=-5.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0781) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0506 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -167:sc= -0.0433 (180deg=-0.386) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 26 LYS NZ :NH3+ -168:sc= 0.789 (180deg=0.464) USER MOD Single : A 44 ASN : amide:sc= -0.0357 X(o=-0.036,f=-0.38) USER MOD Single : A 45 LYS NZ :NH3+ 153:sc= 0.559 (180deg=0.448) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 51 TYR OH : rot 15:sc= 0 USER MOD Single : A 56 SER OG : rot 80:sc= 0.538 USER MOD Single : A 59 ASN : amide:sc= 1.06 K(o=1.1,f=-0.56) USER MOD Single : A 60 MET CE :methyl 151:sc= -0.157 (180deg=-1.7!) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 63 MET CE :methyl 172:sc= 0 (180deg=-0.109) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 89:sc= 1.24 USER MOD Single : A 78 MET CE :methyl -114:sc= -0.288 (180deg=-0.655) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= -0.0188 (180deg=-0.0188) USER MOD Single : A 87 THR OG1 : rot 62:sc= 1.26 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -1.47 X(o=-1.5,f=-1.8) USER MOD Single : A 100 GLN : amide:sc= -0.116 K(o=-0.12,f=-0.71) USER MOD Single : A 104 SER OG : rot -36:sc= 0.855 USER MOD Single : A 106 TYR OH : rot 159:sc= 0.204 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 122 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0893) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl -170:sc= -0.0251 (180deg=-0.183) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.622 -16.806 -3.757 1.00 0.00 N ATOM 2 CA MET A 1 18.944 -17.087 -3.170 1.00 0.00 C ATOM 3 C MET A 1 18.878 -17.159 -1.648 1.00 0.00 C ATOM 4 O MET A 1 19.068 -18.248 -1.095 1.00 0.00 O ATOM 5 CB MET A 1 20.062 -16.154 -3.664 1.00 0.00 C ATOM 6 CG MET A 1 19.693 -14.670 -3.761 1.00 0.00 C ATOM 7 SD MET A 1 21.119 -13.586 -3.983 1.00 0.00 S ATOM 8 CE MET A 1 20.672 -12.808 -5.556 1.00 0.00 C ATOM 0 H1 MET A 1 17.704 -16.764 -4.793 1.00 0.00 H new ATOM 0 H2 MET A 1 16.957 -17.561 -3.493 1.00 0.00 H new ATOM 0 H3 MET A 1 17.270 -15.895 -3.400 1.00 0.00 H new ATOM 0 HA MET A 1 19.225 -18.074 -3.536 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.916 -16.254 -2.995 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.386 -16.494 -4.648 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.006 -14.529 -4.595 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.161 -14.376 -2.856 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.450 -12.102 -5.846 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.572 -13.574 -6.325 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.725 -12.280 -5.444 1.00 0.00 H new ATOM 20 N ALA A 2 18.646 -16.046 -0.947 1.00 0.00 N ATOM 21 CA ALA A 2 18.318 -16.027 0.468 1.00 0.00 C ATOM 22 C ALA A 2 17.167 -15.041 0.646 1.00 0.00 C ATOM 23 O ALA A 2 16.996 -14.153 -0.190 1.00 0.00 O ATOM 24 CB ALA A 2 19.542 -15.623 1.301 1.00 0.00 C ATOM 0 H ALA A 2 18.684 -15.116 -1.363 1.00 0.00 H new ATOM 0 HA ALA A 2 18.021 -17.017 0.815 1.00 0.00 H new ATOM 0 HB1 ALA A 2 19.276 -15.615 2.358 1.00 0.00 H new ATOM 0 HB2 ALA A 2 20.347 -16.339 1.135 1.00 0.00 H new ATOM 0 HB3 ALA A 2 19.873 -14.628 1.002 1.00 0.00 H new ATOM 30 N ASP A 3 16.402 -15.197 1.728 1.00 0.00 N ATOM 31 CA ASP A 3 15.088 -14.575 1.929 1.00 0.00 C ATOM 32 C ASP A 3 14.135 -14.997 0.802 1.00 0.00 C ATOM 33 O ASP A 3 14.426 -15.911 0.028 1.00 0.00 O ATOM 34 CB ASP A 3 15.192 -13.043 2.078 1.00 0.00 C ATOM 35 CG ASP A 3 16.016 -12.623 3.286 1.00 0.00 C ATOM 36 OD1 ASP A 3 15.686 -13.011 4.429 1.00 0.00 O ATOM 37 OD2 ASP A 3 16.978 -11.842 3.125 1.00 0.00 O ATOM 0 H ASP A 3 16.688 -15.779 2.516 1.00 0.00 H new ATOM 0 HA ASP A 3 14.672 -14.933 2.871 1.00 0.00 H new ATOM 0 HB2 ASP A 3 15.638 -12.624 1.176 1.00 0.00 H new ATOM 0 HB3 ASP A 3 14.190 -12.622 2.163 1.00 0.00 H new ATOM 42 N LYS A 4 12.940 -14.414 0.740 1.00 0.00 N ATOM 43 CA LYS A 4 12.131 -14.369 -0.475 1.00 0.00 C ATOM 44 C LYS A 4 12.535 -13.184 -1.358 1.00 0.00 C ATOM 45 O LYS A 4 11.957 -13.018 -2.428 1.00 0.00 O ATOM 46 CB LYS A 4 10.646 -14.247 -0.076 1.00 0.00 C ATOM 47 CG LYS A 4 9.947 -15.606 0.034 1.00 0.00 C ATOM 48 CD LYS A 4 9.727 -16.226 -1.354 1.00 0.00 C ATOM 49 CE LYS A 4 8.717 -17.379 -1.358 1.00 0.00 C ATOM 50 NZ LYS A 4 7.339 -16.935 -1.072 1.00 0.00 N ATOM 0 H LYS A 4 12.502 -13.955 1.539 1.00 0.00 H new ATOM 0 HA LYS A 4 12.292 -15.283 -1.047 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.573 -13.728 0.879 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.126 -13.635 -0.812 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.547 -16.279 0.646 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.988 -15.486 0.539 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.383 -15.451 -2.039 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.681 -16.589 -1.736 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.740 -17.873 -2.330 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.016 -18.120 -0.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.676 -17.712 -1.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.263 -16.660 -0.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.105 -16.119 -1.674 1.00 0.00 H new ATOM 64 N GLU A 5 13.470 -12.341 -0.894 1.00 0.00 N ATOM 65 CA GLU A 5 13.652 -10.970 -1.371 1.00 0.00 C ATOM 66 C GLU A 5 12.291 -10.261 -1.464 1.00 0.00 C ATOM 67 O GLU A 5 11.995 -9.566 -2.440 1.00 0.00 O ATOM 68 CB GLU A 5 14.488 -10.937 -2.661 1.00 0.00 C ATOM 69 CG GLU A 5 15.977 -11.153 -2.361 1.00 0.00 C ATOM 70 CD GLU A 5 16.836 -10.882 -3.594 1.00 0.00 C ATOM 71 OE1 GLU A 5 16.745 -9.773 -4.167 1.00 0.00 O ATOM 72 OE2 GLU A 5 17.635 -11.761 -3.994 1.00 0.00 O ATOM 0 H GLU A 5 14.131 -12.602 -0.163 1.00 0.00 H new ATOM 0 HA GLU A 5 14.237 -10.399 -0.650 1.00 0.00 H new ATOM 0 HB2 GLU A 5 14.136 -11.709 -3.346 1.00 0.00 H new ATOM 0 HB3 GLU A 5 14.350 -9.979 -3.163 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.286 -10.495 -1.548 1.00 0.00 H new ATOM 0 HG3 GLU A 5 16.137 -12.176 -2.021 1.00 0.00 H new ATOM 79 N LEU A 6 11.458 -10.476 -0.434 1.00 0.00 N ATOM 80 CA LEU A 6 10.078 -10.016 -0.384 1.00 0.00 C ATOM 81 C LEU A 6 10.048 -8.503 -0.511 1.00 0.00 C ATOM 82 O LEU A 6 10.628 -7.790 0.312 1.00 0.00 O ATOM 83 CB LEU A 6 9.371 -10.478 0.896 1.00 0.00 C ATOM 84 CG LEU A 6 7.883 -10.046 0.929 1.00 0.00 C ATOM 85 CD1 LEU A 6 7.019 -11.228 1.375 1.00 0.00 C ATOM 86 CD2 LEU A 6 7.644 -8.847 1.857 1.00 0.00 C ATOM 0 H LEU A 6 11.740 -10.987 0.402 1.00 0.00 H new ATOM 0 HA LEU A 6 9.534 -10.457 -1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.435 -11.563 0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.887 -10.066 1.763 1.00 0.00 H new ATOM 0 HG LEU A 6 7.607 -9.735 -0.079 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.972 -10.925 1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.142 -12.054 0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.326 -11.548 2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.587 -8.583 1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.942 -9.108 2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.234 -7.997 1.513 1.00 0.00 H new ATOM 98 N LYS A 7 9.384 -8.022 -1.554 1.00 0.00 N ATOM 99 CA LYS A 7 9.264 -6.606 -1.813 1.00 0.00 C ATOM 100 C LYS A 7 8.031 -6.021 -1.170 1.00 0.00 C ATOM 101 O LYS A 7 7.000 -6.681 -1.026 1.00 0.00 O ATOM 102 CB LYS A 7 9.287 -6.334 -3.322 1.00 0.00 C ATOM 103 CG LYS A 7 10.693 -5.888 -3.710 1.00 0.00 C ATOM 104 CD LYS A 7 10.858 -5.896 -5.227 1.00 0.00 C ATOM 105 CE LYS A 7 12.178 -5.303 -5.724 1.00 0.00 C ATOM 106 NZ LYS A 7 13.376 -5.997 -5.209 1.00 0.00 N ATOM 0 H LYS A 7 8.915 -8.611 -2.242 1.00 0.00 H new ATOM 0 HA LYS A 7 10.123 -6.110 -1.361 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.008 -7.232 -3.873 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.560 -5.564 -3.580 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.883 -4.887 -3.323 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.429 -6.550 -3.255 1.00 0.00 H new ATOM 0 HD2 LYS A 7 10.779 -6.923 -5.583 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.033 -5.339 -5.673 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.192 -5.334 -6.813 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.225 -4.253 -5.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.230 -5.481 -5.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 13.336 -6.035 -4.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.407 -6.964 -5.590 1.00 0.00 H new ATOM 120 N PHE A 8 8.144 -4.731 -0.878 1.00 0.00 N ATOM 121 CA PHE A 8 7.006 -3.854 -0.679 1.00 0.00 C ATOM 122 C PHE A 8 6.965 -2.958 -1.911 1.00 0.00 C ATOM 123 O PHE A 8 8.011 -2.733 -2.524 1.00 0.00 O ATOM 124 CB PHE A 8 7.229 -3.024 0.591 1.00 0.00 C ATOM 125 CG PHE A 8 6.711 -3.640 1.869 1.00 0.00 C ATOM 126 CD1 PHE A 8 7.171 -4.895 2.309 1.00 0.00 C ATOM 127 CD2 PHE A 8 5.753 -2.945 2.627 1.00 0.00 C ATOM 128 CE1 PHE A 8 6.650 -5.449 3.487 1.00 0.00 C ATOM 129 CE2 PHE A 8 5.232 -3.499 3.803 1.00 0.00 C ATOM 130 CZ PHE A 8 5.690 -4.755 4.241 1.00 0.00 C ATOM 0 H PHE A 8 9.043 -4.262 -0.772 1.00 0.00 H new ATOM 0 HA PHE A 8 6.069 -4.398 -0.557 1.00 0.00 H new ATOM 0 HB2 PHE A 8 8.298 -2.843 0.703 1.00 0.00 H new ATOM 0 HB3 PHE A 8 6.753 -2.052 0.457 1.00 0.00 H new ATOM 0 HD1 PHE A 8 7.921 -5.428 1.743 1.00 0.00 H new ATOM 0 HD2 PHE A 8 5.415 -1.973 2.299 1.00 0.00 H new ATOM 0 HE1 PHE A 8 6.990 -6.419 3.818 1.00 0.00 H new ATOM 0 HE2 PHE A 8 4.483 -2.965 4.370 1.00 0.00 H new ATOM 0 HZ PHE A 8 5.305 -5.184 5.154 1.00 0.00 H new ATOM 140 N LEU A 9 5.804 -2.399 -2.241 1.00 0.00 N ATOM 141 CA LEU A 9 5.655 -1.337 -3.226 1.00 0.00 C ATOM 142 C LEU A 9 5.066 -0.130 -2.516 1.00 0.00 C ATOM 143 O LEU A 9 4.232 -0.317 -1.634 1.00 0.00 O ATOM 144 CB LEU A 9 4.718 -1.790 -4.354 1.00 0.00 C ATOM 145 CG LEU A 9 4.788 -0.879 -5.586 1.00 0.00 C ATOM 146 CD1 LEU A 9 6.134 -0.942 -6.311 1.00 0.00 C ATOM 147 CD2 LEU A 9 3.702 -1.296 -6.570 1.00 0.00 C ATOM 0 H LEU A 9 4.919 -2.681 -1.819 1.00 0.00 H new ATOM 0 HA LEU A 9 6.621 -1.089 -3.667 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.974 -2.809 -4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.694 -1.813 -3.982 1.00 0.00 H new ATOM 0 HG LEU A 9 4.652 0.142 -5.230 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.115 -0.274 -7.172 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.928 -0.635 -5.631 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.319 -1.962 -6.647 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.743 -0.654 -7.450 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.860 -2.332 -6.869 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.725 -1.200 -6.096 1.00 0.00 H new ATOM 159 N VAL A 10 5.493 1.072 -2.889 1.00 0.00 N ATOM 160 CA VAL A 10 5.185 2.319 -2.203 1.00 0.00 C ATOM 161 C VAL A 10 4.862 3.367 -3.284 1.00 0.00 C ATOM 162 O VAL A 10 5.786 3.961 -3.847 1.00 0.00 O ATOM 163 CB VAL A 10 6.391 2.690 -1.295 1.00 0.00 C ATOM 164 CG1 VAL A 10 6.057 3.862 -0.380 1.00 0.00 C ATOM 165 CG2 VAL A 10 6.845 1.544 -0.364 1.00 0.00 C ATOM 0 H VAL A 10 6.085 1.208 -3.708 1.00 0.00 H new ATOM 0 HA VAL A 10 4.318 2.249 -1.546 1.00 0.00 H new ATOM 0 HB VAL A 10 7.188 2.930 -1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.921 4.096 0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.798 4.732 -0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.213 3.597 0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.690 1.878 0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.022 1.260 0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.144 0.685 -0.964 1.00 0.00 H new ATOM 175 N VAL A 11 3.591 3.548 -3.646 1.00 0.00 N ATOM 176 CA VAL A 11 3.148 4.422 -4.747 1.00 0.00 C ATOM 177 C VAL A 11 2.386 5.603 -4.118 1.00 0.00 C ATOM 178 O VAL A 11 1.194 5.808 -4.367 1.00 0.00 O ATOM 179 CB VAL A 11 2.349 3.630 -5.825 1.00 0.00 C ATOM 180 CG1 VAL A 11 2.333 4.342 -7.186 1.00 0.00 C ATOM 181 CG2 VAL A 11 2.909 2.216 -6.059 1.00 0.00 C ATOM 0 H VAL A 11 2.817 3.081 -3.173 1.00 0.00 H new ATOM 0 HA VAL A 11 3.996 4.823 -5.303 1.00 0.00 H new ATOM 0 HB VAL A 11 1.338 3.568 -5.421 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.763 3.748 -7.901 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.870 5.323 -7.078 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.355 4.461 -7.546 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.314 1.710 -6.819 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.944 2.285 -6.395 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.866 1.649 -5.129 1.00 0.00 H new ATOM 191 N ASP A 12 3.048 6.334 -3.219 1.00 0.00 N ATOM 192 CA ASP A 12 2.481 7.511 -2.563 1.00 0.00 C ATOM 193 C ASP A 12 2.535 8.686 -3.532 1.00 0.00 C ATOM 194 O ASP A 12 3.594 8.982 -4.100 1.00 0.00 O ATOM 195 CB ASP A 12 3.267 7.930 -1.316 1.00 0.00 C ATOM 196 CG ASP A 12 3.172 6.955 -0.147 1.00 0.00 C ATOM 197 OD1 ASP A 12 3.756 5.855 -0.254 1.00 0.00 O ATOM 198 OD2 ASP A 12 2.589 7.348 0.883 1.00 0.00 O ATOM 0 H ASP A 12 4.001 6.123 -2.924 1.00 0.00 H new ATOM 0 HA ASP A 12 1.464 7.251 -2.269 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.316 8.050 -1.587 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.909 8.906 -0.988 1.00 0.00 H new ATOM 203 N ASP A 13 1.409 9.387 -3.671 1.00 0.00 N ATOM 204 CA ASP A 13 1.267 10.571 -4.512 1.00 0.00 C ATOM 205 C ASP A 13 2.188 11.698 -4.061 1.00 0.00 C ATOM 206 O ASP A 13 2.996 12.191 -4.846 1.00 0.00 O ATOM 207 CB ASP A 13 -0.178 11.066 -4.493 1.00 0.00 C ATOM 208 CG ASP A 13 -0.316 12.379 -5.260 1.00 0.00 C ATOM 209 OD1 ASP A 13 -0.007 12.396 -6.470 1.00 0.00 O ATOM 210 OD2 ASP A 13 -0.736 13.389 -4.644 1.00 0.00 O ATOM 0 H ASP A 13 0.547 9.137 -3.186 1.00 0.00 H new ATOM 0 HA ASP A 13 1.547 10.282 -5.525 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.830 10.312 -4.934 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.505 11.206 -3.463 1.00 0.00 H new ATOM 215 N PHE A 14 2.081 12.122 -2.800 1.00 0.00 N ATOM 216 CA PHE A 14 3.007 13.100 -2.257 1.00 0.00 C ATOM 217 C PHE A 14 4.363 12.413 -2.125 1.00 0.00 C ATOM 218 O PHE A 14 4.490 11.485 -1.330 1.00 0.00 O ATOM 219 CB PHE A 14 2.514 13.649 -0.909 1.00 0.00 C ATOM 220 CG PHE A 14 3.366 14.799 -0.393 1.00 0.00 C ATOM 221 CD1 PHE A 14 3.566 15.927 -1.209 1.00 0.00 C ATOM 222 CD2 PHE A 14 3.976 14.759 0.877 1.00 0.00 C ATOM 223 CE1 PHE A 14 4.390 16.978 -0.781 1.00 0.00 C ATOM 224 CE2 PHE A 14 4.774 15.829 1.319 1.00 0.00 C ATOM 225 CZ PHE A 14 4.999 16.929 0.479 1.00 0.00 C ATOM 0 H PHE A 14 1.367 11.803 -2.146 1.00 0.00 H new ATOM 0 HA PHE A 14 3.085 13.962 -2.920 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.483 13.986 -1.014 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.513 12.845 -0.173 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.081 15.984 -2.172 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.829 13.900 1.515 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.556 17.829 -1.426 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.214 15.804 2.305 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.640 17.736 0.803 1.00 0.00 H new ATOM 235 N SER A 15 5.385 12.831 -2.876 1.00 0.00 N ATOM 236 CA SER A 15 6.640 12.081 -2.950 1.00 0.00 C ATOM 237 C SER A 15 7.245 11.879 -1.556 1.00 0.00 C ATOM 238 O SER A 15 7.576 10.759 -1.151 1.00 0.00 O ATOM 239 CB SER A 15 7.639 12.773 -3.886 1.00 0.00 C ATOM 240 OG SER A 15 6.978 13.469 -4.926 1.00 0.00 O ATOM 0 H SER A 15 5.368 13.681 -3.439 1.00 0.00 H new ATOM 0 HA SER A 15 6.417 11.097 -3.364 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.253 13.469 -3.314 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.313 12.031 -4.314 1.00 0.00 H new ATOM 0 HG SER A 15 7.641 13.900 -5.504 1.00 0.00 H new ATOM 246 N THR A 16 7.333 12.962 -0.785 1.00 0.00 N ATOM 247 CA THR A 16 7.820 12.936 0.583 1.00 0.00 C ATOM 248 C THR A 16 6.980 11.995 1.465 1.00 0.00 C ATOM 249 O THR A 16 7.534 11.392 2.382 1.00 0.00 O ATOM 250 CB THR A 16 7.885 14.390 1.074 1.00 0.00 C ATOM 251 OG1 THR A 16 8.911 15.052 0.350 1.00 0.00 O ATOM 252 CG2 THR A 16 8.103 14.549 2.577 1.00 0.00 C ATOM 0 H THR A 16 7.063 13.893 -1.103 1.00 0.00 H new ATOM 0 HA THR A 16 8.823 12.514 0.642 1.00 0.00 H new ATOM 0 HB THR A 16 6.908 14.837 0.890 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.970 15.984 0.645 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.135 15.609 2.830 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.284 14.072 3.116 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.045 14.080 2.860 1.00 0.00 H new ATOM 260 N MET A 17 5.692 11.776 1.177 1.00 0.00 N ATOM 261 CA MET A 17 4.889 10.793 1.896 1.00 0.00 C ATOM 262 C MET A 17 5.435 9.383 1.668 1.00 0.00 C ATOM 263 O MET A 17 5.518 8.649 2.649 1.00 0.00 O ATOM 264 CB MET A 17 3.405 10.930 1.537 1.00 0.00 C ATOM 265 CG MET A 17 2.452 10.234 2.496 1.00 0.00 C ATOM 266 SD MET A 17 0.720 10.748 2.319 1.00 0.00 S ATOM 267 CE MET A 17 0.304 9.856 0.792 1.00 0.00 C ATOM 0 H MET A 17 5.185 12.273 0.445 1.00 0.00 H new ATOM 0 HA MET A 17 4.963 10.987 2.966 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.151 11.989 1.499 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.249 10.528 0.536 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.518 9.157 2.340 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.775 10.429 3.519 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.643 10.228 0.400 1.00 0.00 H new ATOM 0 HE2 MET A 17 1.090 10.014 0.053 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.215 8.791 1.006 1.00 0.00 H new ATOM 277 N ARG A 18 5.948 9.029 0.476 1.00 0.00 N ATOM 278 CA ARG A 18 6.623 7.733 0.310 1.00 0.00 C ATOM 279 C ARG A 18 7.877 7.701 1.165 1.00 0.00 C ATOM 280 O ARG A 18 8.175 6.670 1.762 1.00 0.00 O ATOM 281 CB ARG A 18 6.929 7.399 -1.169 1.00 0.00 C ATOM 282 CG ARG A 18 8.239 6.607 -1.368 1.00 0.00 C ATOM 283 CD ARG A 18 8.395 6.014 -2.763 1.00 0.00 C ATOM 284 NE ARG A 18 9.791 5.605 -3.013 1.00 0.00 N ATOM 285 CZ ARG A 18 10.427 4.482 -2.652 1.00 0.00 C ATOM 286 NH1 ARG A 18 9.837 3.543 -1.924 1.00 0.00 N ATOM 287 NH2 ARG A 18 11.684 4.323 -3.050 1.00 0.00 N ATOM 0 H ARG A 18 5.910 9.605 -0.365 1.00 0.00 H new ATOM 0 HA ARG A 18 5.940 6.954 0.649 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.100 6.823 -1.581 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.986 8.327 -1.738 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.084 7.265 -1.167 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.280 5.802 -0.635 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.735 5.153 -2.871 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.088 6.747 -3.509 1.00 0.00 H new ATOM 0 HE ARG A 18 10.354 6.275 -3.537 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.870 3.664 -1.622 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.350 2.700 -1.666 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.136 5.044 -3.613 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.198 3.480 -2.793 1.00 0.00 H new ATOM 301 N ARG A 19 8.655 8.788 1.204 1.00 0.00 N ATOM 302 CA ARG A 19 9.860 8.821 2.035 1.00 0.00 C ATOM 303 C ARG A 19 9.489 8.579 3.498 1.00 0.00 C ATOM 304 O ARG A 19 10.226 7.865 4.182 1.00 0.00 O ATOM 305 CB ARG A 19 10.644 10.131 1.841 1.00 0.00 C ATOM 306 CG ARG A 19 11.774 10.009 0.811 1.00 0.00 C ATOM 307 CD ARG A 19 11.325 9.755 -0.637 1.00 0.00 C ATOM 308 NE ARG A 19 12.504 9.442 -1.454 1.00 0.00 N ATOM 309 CZ ARG A 19 12.557 9.066 -2.735 1.00 0.00 C ATOM 310 NH1 ARG A 19 11.461 8.962 -3.481 1.00 0.00 N ATOM 311 NH2 ARG A 19 13.741 8.768 -3.254 1.00 0.00 N ATOM 0 H ARG A 19 8.475 9.643 0.678 1.00 0.00 H new ATOM 0 HA ARG A 19 10.526 8.018 1.719 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.956 10.916 1.526 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.064 10.441 2.798 1.00 0.00 H new ATOM 0 HG2 ARG A 19 12.364 10.925 0.835 1.00 0.00 H new ATOM 0 HG3 ARG A 19 12.434 9.197 1.116 1.00 0.00 H new ATOM 0 HD2 ARG A 19 10.613 8.930 -0.671 1.00 0.00 H new ATOM 0 HD3 ARG A 19 10.815 10.633 -1.033 1.00 0.00 H new ATOM 0 HE ARG A 19 13.404 9.522 -0.980 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.548 9.172 -3.078 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.534 8.672 -4.456 1.00 0.00 H new ATOM 0 HH21 ARG A 19 14.580 8.829 -2.678 1.00 0.00 H new ATOM 0 HH22 ARG A 19 13.812 8.478 -4.229 1.00 0.00 H new ATOM 325 N ILE A 20 8.354 9.118 3.954 1.00 0.00 N ATOM 326 CA ILE A 20 7.764 8.791 5.239 1.00 0.00 C ATOM 327 C ILE A 20 7.443 7.289 5.262 1.00 0.00 C ATOM 328 O ILE A 20 8.081 6.598 6.040 1.00 0.00 O ATOM 329 CB ILE A 20 6.601 9.757 5.598 1.00 0.00 C ATOM 330 CG1 ILE A 20 7.119 10.999 6.363 1.00 0.00 C ATOM 331 CG2 ILE A 20 5.533 9.106 6.490 1.00 0.00 C ATOM 332 CD1 ILE A 20 7.941 11.973 5.516 1.00 0.00 C ATOM 0 H ILE A 20 7.817 9.805 3.425 1.00 0.00 H new ATOM 0 HA ILE A 20 8.467 8.958 6.055 1.00 0.00 H new ATOM 0 HB ILE A 20 6.161 10.033 4.640 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.266 11.533 6.782 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.729 10.664 7.202 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.748 9.831 6.706 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.102 8.247 5.975 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.990 8.777 7.423 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.262 12.812 6.134 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.817 11.460 5.118 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.331 12.342 4.691 1.00 0.00 H new ATOM 344 N VAL A 21 6.524 6.753 4.447 1.00 0.00 N ATOM 345 CA VAL A 21 6.096 5.344 4.485 1.00 0.00 C ATOM 346 C VAL A 21 7.299 4.402 4.521 1.00 0.00 C ATOM 347 O VAL A 21 7.389 3.541 5.398 1.00 0.00 O ATOM 348 CB VAL A 21 5.170 5.007 3.287 1.00 0.00 C ATOM 349 CG1 VAL A 21 4.829 3.509 3.223 1.00 0.00 C ATOM 350 CG2 VAL A 21 3.843 5.759 3.421 1.00 0.00 C ATOM 0 H VAL A 21 6.047 7.296 3.728 1.00 0.00 H new ATOM 0 HA VAL A 21 5.526 5.198 5.403 1.00 0.00 H new ATOM 0 HB VAL A 21 5.711 5.299 2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.179 3.320 2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.747 2.931 3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.319 3.212 4.140 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.200 5.516 2.575 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.350 5.465 4.348 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.033 6.832 3.436 1.00 0.00 H new ATOM 360 N ARG A 22 8.235 4.569 3.586 1.00 0.00 N ATOM 361 CA ARG A 22 9.453 3.783 3.519 1.00 0.00 C ATOM 362 C ARG A 22 10.218 3.897 4.832 1.00 0.00 C ATOM 363 O ARG A 22 10.652 2.869 5.349 1.00 0.00 O ATOM 364 CB ARG A 22 10.277 4.207 2.291 1.00 0.00 C ATOM 365 CG ARG A 22 11.565 3.386 2.146 1.00 0.00 C ATOM 366 CD ARG A 22 12.800 3.971 2.844 1.00 0.00 C ATOM 367 NE ARG A 22 13.335 5.128 2.122 1.00 0.00 N ATOM 368 CZ ARG A 22 14.513 5.714 2.353 1.00 0.00 C ATOM 369 NH1 ARG A 22 15.205 5.446 3.460 1.00 0.00 N ATOM 370 NH2 ARG A 22 14.983 6.555 1.446 1.00 0.00 N ATOM 0 H ARG A 22 8.161 5.267 2.846 1.00 0.00 H new ATOM 0 HA ARG A 22 9.218 2.727 3.389 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.672 4.092 1.392 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.529 5.264 2.372 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.385 2.386 2.541 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.787 3.274 1.085 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.538 4.266 3.860 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.570 3.204 2.923 1.00 0.00 H new ATOM 0 HE ARG A 22 12.758 5.520 1.378 1.00 0.00 H new ATOM 0 HH11 ARG A 22 14.836 4.786 4.144 1.00 0.00 H new ATOM 0 HH12 ARG A 22 16.103 5.901 3.623 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.448 6.741 0.597 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.880 7.017 1.595 1.00 0.00 H new ATOM 384 N ASN A 23 10.404 5.108 5.365 1.00 0.00 N ATOM 385 CA ASN A 23 11.056 5.281 6.657 1.00 0.00 C ATOM 386 C ASN A 23 10.318 4.532 7.761 1.00 0.00 C ATOM 387 O ASN A 23 10.956 3.791 8.492 1.00 0.00 O ATOM 388 CB ASN A 23 11.200 6.759 7.029 1.00 0.00 C ATOM 389 CG ASN A 23 12.016 6.907 8.302 1.00 0.00 C ATOM 390 OD1 ASN A 23 13.192 6.551 8.300 1.00 0.00 O ATOM 391 ND2 ASN A 23 11.455 7.464 9.360 1.00 0.00 N ATOM 0 H ASN A 23 10.112 5.978 4.920 1.00 0.00 H new ATOM 0 HA ASN A 23 12.055 4.857 6.561 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.682 7.300 6.215 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.214 7.204 7.167 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.001 7.610 10.209 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.476 7.748 9.328 1.00 0.00 H new ATOM 398 N LEU A 24 8.998 4.687 7.877 1.00 0.00 N ATOM 399 CA LEU A 24 8.184 4.055 8.917 1.00 0.00 C ATOM 400 C LEU A 24 8.289 2.529 8.844 1.00 0.00 C ATOM 401 O LEU A 24 8.345 1.852 9.867 1.00 0.00 O ATOM 402 CB LEU A 24 6.706 4.458 8.774 1.00 0.00 C ATOM 403 CG LEU A 24 6.390 5.963 8.848 1.00 0.00 C ATOM 404 CD1 LEU A 24 4.897 6.151 8.566 1.00 0.00 C ATOM 405 CD2 LEU A 24 6.831 6.645 10.146 1.00 0.00 C ATOM 0 H LEU A 24 8.454 5.267 7.238 1.00 0.00 H new ATOM 0 HA LEU A 24 8.564 4.398 9.879 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.341 4.080 7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.138 3.952 9.555 1.00 0.00 H new ATOM 0 HG LEU A 24 6.985 6.469 8.088 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.649 7.211 8.613 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.663 5.767 7.573 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.315 5.609 9.311 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.568 7.702 10.109 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.329 6.176 10.992 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.910 6.543 10.262 1.00 0.00 H new ATOM 417 N LEU A 25 8.320 1.972 7.635 1.00 0.00 N ATOM 418 CA LEU A 25 8.520 0.546 7.422 1.00 0.00 C ATOM 419 C LEU A 25 9.914 0.132 7.876 1.00 0.00 C ATOM 420 O LEU A 25 10.058 -0.846 8.611 1.00 0.00 O ATOM 421 CB LEU A 25 8.279 0.216 5.942 1.00 0.00 C ATOM 422 CG LEU A 25 6.784 -0.014 5.673 1.00 0.00 C ATOM 423 CD1 LEU A 25 6.501 0.097 4.177 1.00 0.00 C ATOM 424 CD2 LEU A 25 6.344 -1.397 6.168 1.00 0.00 C ATOM 0 H LEU A 25 8.206 2.504 6.772 1.00 0.00 H new ATOM 0 HA LEU A 25 7.806 -0.021 8.020 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.644 1.032 5.318 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.844 -0.674 5.666 1.00 0.00 H new ATOM 0 HG LEU A 25 6.222 0.748 6.214 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.439 -0.067 3.994 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.780 1.091 3.827 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.082 -0.653 3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.282 -1.535 5.966 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.915 -2.167 5.650 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.522 -1.473 7.241 1.00 0.00 H new ATOM 436 N LYS A 26 10.954 0.860 7.463 1.00 0.00 N ATOM 437 CA LYS A 26 12.316 0.550 7.883 1.00 0.00 C ATOM 438 C LYS A 26 12.511 0.765 9.385 1.00 0.00 C ATOM 439 O LYS A 26 13.316 0.046 9.968 1.00 0.00 O ATOM 440 CB LYS A 26 13.326 1.359 7.061 1.00 0.00 C ATOM 441 CG LYS A 26 13.411 0.911 5.586 1.00 0.00 C ATOM 442 CD LYS A 26 14.858 0.776 5.080 1.00 0.00 C ATOM 443 CE LYS A 26 15.541 -0.582 5.334 1.00 0.00 C ATOM 444 NZ LYS A 26 15.395 -1.096 6.713 1.00 0.00 N ATOM 0 H LYS A 26 10.876 1.664 6.841 1.00 0.00 H new ATOM 0 HA LYS A 26 12.493 -0.509 7.693 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.053 2.413 7.098 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.311 1.269 7.518 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.902 -0.046 5.473 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.880 1.630 4.963 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.866 0.969 4.007 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.459 1.555 5.548 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.130 -1.316 4.641 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.603 -0.488 5.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.043 -1.897 6.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.624 -0.341 7.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.416 -1.412 6.864 1.00 0.00 H new ATOM 458 N GLU A 27 11.773 1.669 10.029 1.00 0.00 N ATOM 459 CA GLU A 27 11.769 1.857 11.477 1.00 0.00 C ATOM 460 C GLU A 27 11.299 0.575 12.155 1.00 0.00 C ATOM 461 O GLU A 27 11.910 0.141 13.131 1.00 0.00 O ATOM 462 CB GLU A 27 10.836 3.013 11.878 1.00 0.00 C ATOM 463 CG GLU A 27 11.397 4.406 11.586 1.00 0.00 C ATOM 464 CD GLU A 27 12.064 4.982 12.828 1.00 0.00 C ATOM 465 OE1 GLU A 27 13.163 4.516 13.210 1.00 0.00 O ATOM 466 OE2 GLU A 27 11.468 5.886 13.462 1.00 0.00 O ATOM 0 H GLU A 27 11.144 2.308 9.543 1.00 0.00 H new ATOM 0 HA GLU A 27 12.783 2.100 11.795 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.888 2.898 11.352 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.620 2.937 12.944 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.118 4.351 10.771 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.595 5.066 11.257 1.00 0.00 H new ATOM 473 N LEU A 28 10.226 -0.043 11.654 1.00 0.00 N ATOM 474 CA LEU A 28 9.716 -1.309 12.182 1.00 0.00 C ATOM 475 C LEU A 28 10.664 -2.468 11.847 1.00 0.00 C ATOM 476 O LEU A 28 10.747 -3.427 12.619 1.00 0.00 O ATOM 477 CB LEU A 28 8.297 -1.571 11.648 1.00 0.00 C ATOM 478 CG LEU A 28 7.256 -0.548 12.144 1.00 0.00 C ATOM 479 CD1 LEU A 28 5.956 -0.684 11.347 1.00 0.00 C ATOM 480 CD2 LEU A 28 6.947 -0.710 13.634 1.00 0.00 C ATOM 0 H LEU A 28 9.686 0.322 10.869 1.00 0.00 H new ATOM 0 HA LEU A 28 9.664 -1.238 13.268 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.319 -1.556 10.558 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.983 -2.571 11.947 1.00 0.00 H new ATOM 0 HG LEU A 28 7.689 0.441 11.993 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.230 0.044 11.708 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.156 -0.504 10.291 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.555 -1.690 11.474 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.209 0.033 13.935 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.552 -1.709 13.817 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.860 -0.569 14.212 1.00 0.00 H new ATOM 492 N GLY A 29 11.415 -2.358 10.749 1.00 0.00 N ATOM 493 CA GLY A 29 12.518 -3.242 10.387 1.00 0.00 C ATOM 494 C GLY A 29 12.413 -3.819 8.978 1.00 0.00 C ATOM 495 O GLY A 29 13.266 -4.610 8.580 1.00 0.00 O ATOM 0 H GLY A 29 11.263 -1.620 10.062 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.455 -2.692 10.475 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.562 -4.063 11.103 1.00 0.00 H new ATOM 499 N PHE A 30 11.383 -3.447 8.216 1.00 0.00 N ATOM 500 CA PHE A 30 11.162 -3.950 6.867 1.00 0.00 C ATOM 501 C PHE A 30 12.216 -3.396 5.905 1.00 0.00 C ATOM 502 O PHE A 30 12.995 -2.496 6.246 1.00 0.00 O ATOM 503 CB PHE A 30 9.731 -3.619 6.422 1.00 0.00 C ATOM 504 CG PHE A 30 8.679 -4.362 7.225 1.00 0.00 C ATOM 505 CD1 PHE A 30 8.307 -3.905 8.503 1.00 0.00 C ATOM 506 CD2 PHE A 30 8.115 -5.547 6.718 1.00 0.00 C ATOM 507 CE1 PHE A 30 7.408 -4.644 9.287 1.00 0.00 C ATOM 508 CE2 PHE A 30 7.189 -6.268 7.490 1.00 0.00 C ATOM 509 CZ PHE A 30 6.850 -5.828 8.779 1.00 0.00 C ATOM 0 H PHE A 30 10.674 -2.782 8.525 1.00 0.00 H new ATOM 0 HA PHE A 30 11.270 -5.035 6.858 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.564 -2.546 6.518 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.617 -3.866 5.366 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.716 -2.980 8.883 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.394 -5.902 5.737 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.146 -4.303 10.278 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.737 -7.164 7.090 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.159 -6.401 9.380 1.00 0.00 H new ATOM 519 N ASN A 31 12.246 -3.938 4.689 1.00 0.00 N ATOM 520 CA ASN A 31 13.267 -3.678 3.681 1.00 0.00 C ATOM 521 C ASN A 31 12.626 -3.641 2.291 1.00 0.00 C ATOM 522 O ASN A 31 11.410 -3.790 2.160 1.00 0.00 O ATOM 523 CB ASN A 31 14.386 -4.733 3.797 1.00 0.00 C ATOM 524 CG ASN A 31 14.106 -6.038 3.058 1.00 0.00 C ATOM 525 OD1 ASN A 31 14.530 -6.220 1.920 1.00 0.00 O ATOM 526 ND2 ASN A 31 13.430 -6.981 3.686 1.00 0.00 N ATOM 0 H ASN A 31 11.533 -4.594 4.369 1.00 0.00 H new ATOM 0 HA ASN A 31 13.725 -2.703 3.845 1.00 0.00 H new ATOM 0 HB2 ASN A 31 15.312 -4.305 3.414 1.00 0.00 H new ATOM 0 HB3 ASN A 31 14.550 -4.956 4.851 1.00 0.00 H new ATOM 0 HD21 ASN A 31 13.254 -7.874 3.226 1.00 0.00 H new ATOM 0 HD22 ASN A 31 13.083 -6.817 4.631 1.00 0.00 H new ATOM 533 N ASN A 32 13.441 -3.436 1.254 1.00 0.00 N ATOM 534 CA ASN A 32 13.121 -3.547 -0.169 1.00 0.00 C ATOM 535 C ASN A 32 12.299 -2.375 -0.714 1.00 0.00 C ATOM 536 O ASN A 32 12.812 -1.637 -1.553 1.00 0.00 O ATOM 537 CB ASN A 32 12.485 -4.904 -0.506 1.00 0.00 C ATOM 538 CG ASN A 32 13.413 -5.710 -1.386 1.00 0.00 C ATOM 539 OD1 ASN A 32 13.579 -5.375 -2.549 1.00 0.00 O ATOM 540 ND2 ASN A 32 14.043 -6.744 -0.869 1.00 0.00 N ATOM 0 H ASN A 32 14.414 -3.168 1.399 1.00 0.00 H new ATOM 0 HA ASN A 32 14.078 -3.492 -0.689 1.00 0.00 H new ATOM 0 HB2 ASN A 32 12.274 -5.453 0.412 1.00 0.00 H new ATOM 0 HB3 ASN A 32 11.532 -4.752 -1.013 1.00 0.00 H new ATOM 0 HD21 ASN A 32 14.688 -7.287 -1.443 1.00 0.00 H new ATOM 0 HD22 ASN A 32 13.886 -7.002 0.105 1.00 0.00 H new ATOM 547 N VAL A 33 11.063 -2.195 -0.228 1.00 0.00 N ATOM 548 CA VAL A 33 10.246 -0.974 -0.333 1.00 0.00 C ATOM 549 C VAL A 33 10.456 -0.192 -1.640 1.00 0.00 C ATOM 550 O VAL A 33 10.953 0.937 -1.653 1.00 0.00 O ATOM 551 CB VAL A 33 10.392 -0.136 0.960 1.00 0.00 C ATOM 552 CG1 VAL A 33 9.482 -0.713 2.052 1.00 0.00 C ATOM 553 CG2 VAL A 33 11.835 -0.072 1.497 1.00 0.00 C ATOM 0 H VAL A 33 10.578 -2.937 0.277 1.00 0.00 H new ATOM 0 HA VAL A 33 9.199 -1.269 -0.408 1.00 0.00 H new ATOM 0 HB VAL A 33 10.103 0.882 0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 33 9.586 -0.122 2.962 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.446 -0.682 1.716 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.767 -1.745 2.255 1.00 0.00 H new ATOM 0 HG21 VAL A 33 11.859 0.532 2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.184 -1.080 1.723 1.00 0.00 H new ATOM 0 HG23 VAL A 33 12.484 0.377 0.745 1.00 0.00 H new ATOM 563 N GLU A 34 10.064 -0.834 -2.741 1.00 0.00 N ATOM 564 CA GLU A 34 10.066 -0.296 -4.089 1.00 0.00 C ATOM 565 C GLU A 34 8.970 0.762 -4.249 1.00 0.00 C ATOM 566 O GLU A 34 8.290 1.124 -3.292 1.00 0.00 O ATOM 567 CB GLU A 34 9.893 -1.453 -5.098 1.00 0.00 C ATOM 568 CG GLU A 34 11.067 -1.581 -6.069 1.00 0.00 C ATOM 569 CD GLU A 34 11.342 -0.286 -6.833 1.00 0.00 C ATOM 570 OE1 GLU A 34 10.703 -0.045 -7.883 1.00 0.00 O ATOM 571 OE2 GLU A 34 12.186 0.507 -6.356 1.00 0.00 O ATOM 0 H GLU A 34 9.720 -1.793 -2.708 1.00 0.00 H new ATOM 0 HA GLU A 34 11.018 0.197 -4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.777 -2.389 -4.552 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.975 -1.299 -5.665 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.961 -1.869 -5.516 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.860 -2.381 -6.780 1.00 0.00 H new ATOM 578 N GLU A 35 8.783 1.267 -5.462 1.00 0.00 N ATOM 579 CA GLU A 35 7.918 2.388 -5.808 1.00 0.00 C ATOM 580 C GLU A 35 7.446 2.200 -7.241 1.00 0.00 C ATOM 581 O GLU A 35 7.961 1.348 -7.966 1.00 0.00 O ATOM 582 CB GLU A 35 8.678 3.723 -5.676 1.00 0.00 C ATOM 583 CG GLU A 35 10.183 3.557 -5.919 1.00 0.00 C ATOM 584 CD GLU A 35 10.927 4.838 -6.290 1.00 0.00 C ATOM 585 OE1 GLU A 35 11.161 5.701 -5.409 1.00 0.00 O ATOM 586 OE2 GLU A 35 11.351 4.958 -7.461 1.00 0.00 O ATOM 0 H GLU A 35 9.259 0.883 -6.278 1.00 0.00 H new ATOM 0 HA GLU A 35 7.067 2.417 -5.128 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.273 4.442 -6.389 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.515 4.135 -4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.636 3.140 -5.020 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.328 2.828 -6.716 1.00 0.00 H new ATOM 593 N ALA A 36 6.481 3.011 -7.655 1.00 0.00 N ATOM 594 CA ALA A 36 6.047 3.113 -9.028 1.00 0.00 C ATOM 595 C ALA A 36 5.642 4.560 -9.291 1.00 0.00 C ATOM 596 O ALA A 36 5.463 5.338 -8.349 1.00 0.00 O ATOM 597 CB ALA A 36 4.890 2.136 -9.254 1.00 0.00 C ATOM 0 H ALA A 36 5.970 3.628 -7.024 1.00 0.00 H new ATOM 0 HA ALA A 36 6.842 2.848 -9.725 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.553 2.204 -10.288 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.226 1.120 -9.048 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.066 2.388 -8.587 1.00 0.00 H new ATOM 603 N GLU A 37 5.478 4.919 -10.560 1.00 0.00 N ATOM 604 CA GLU A 37 5.024 6.227 -10.982 1.00 0.00 C ATOM 605 C GLU A 37 3.576 6.468 -10.577 1.00 0.00 C ATOM 606 O GLU A 37 3.224 7.594 -10.223 1.00 0.00 O ATOM 607 CB GLU A 37 5.151 6.269 -12.505 1.00 0.00 C ATOM 608 CG GLU A 37 6.622 6.194 -12.929 1.00 0.00 C ATOM 609 CD GLU A 37 7.269 7.571 -13.054 1.00 0.00 C ATOM 610 OE1 GLU A 37 6.936 8.471 -12.246 1.00 0.00 O ATOM 611 OE2 GLU A 37 8.161 7.740 -13.918 1.00 0.00 O ATOM 0 H GLU A 37 5.664 4.287 -11.339 1.00 0.00 H new ATOM 0 HA GLU A 37 5.624 7.004 -10.507 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.598 5.438 -12.944 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.704 7.187 -12.887 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.176 5.601 -12.201 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.695 5.675 -13.885 1.00 0.00 H new ATOM 618 N ASP A 38 2.750 5.423 -10.620 1.00 0.00 N ATOM 619 CA ASP A 38 1.301 5.447 -10.480 1.00 0.00 C ATOM 620 C ASP A 38 0.816 3.994 -10.427 1.00 0.00 C ATOM 621 O ASP A 38 1.620 3.076 -10.591 1.00 0.00 O ATOM 622 CB ASP A 38 0.643 6.174 -11.669 1.00 0.00 C ATOM 623 CG ASP A 38 0.385 5.246 -12.859 1.00 0.00 C ATOM 624 OD1 ASP A 38 1.345 4.632 -13.376 1.00 0.00 O ATOM 625 OD2 ASP A 38 -0.788 5.124 -13.267 1.00 0.00 O ATOM 0 H ASP A 38 3.102 4.477 -10.763 1.00 0.00 H new ATOM 0 HA ASP A 38 1.027 5.984 -9.572 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.301 6.613 -11.344 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.284 6.996 -11.987 1.00 0.00 H new ATOM 630 N GLY A 39 -0.480 3.764 -10.222 1.00 0.00 N ATOM 631 CA GLY A 39 -1.090 2.442 -10.261 1.00 0.00 C ATOM 632 C GLY A 39 -0.852 1.634 -11.547 1.00 0.00 C ATOM 633 O GLY A 39 -0.714 0.411 -11.465 1.00 0.00 O ATOM 0 H GLY A 39 -1.147 4.509 -10.020 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.715 1.864 -9.416 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.165 2.554 -10.118 1.00 0.00 H new ATOM 637 N VAL A 40 -0.809 2.249 -12.735 1.00 0.00 N ATOM 638 CA VAL A 40 -0.520 1.499 -13.957 1.00 0.00 C ATOM 639 C VAL A 40 0.884 0.905 -13.818 1.00 0.00 C ATOM 640 O VAL A 40 1.051 -0.309 -13.960 1.00 0.00 O ATOM 641 CB VAL A 40 -0.693 2.361 -15.229 1.00 0.00 C ATOM 642 CG1 VAL A 40 -0.426 1.539 -16.502 1.00 0.00 C ATOM 643 CG2 VAL A 40 -2.118 2.920 -15.357 1.00 0.00 C ATOM 0 H VAL A 40 -0.968 3.247 -12.873 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.240 0.690 -14.080 1.00 0.00 H new ATOM 0 HB VAL A 40 0.025 3.175 -15.131 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.556 2.174 -17.379 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.594 1.155 -16.480 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.127 0.705 -16.550 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.194 3.519 -16.264 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.829 2.095 -15.406 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.344 3.543 -14.491 1.00 0.00 H new ATOM 653 N ASP A 41 1.876 1.730 -13.482 1.00 0.00 N ATOM 654 CA ASP A 41 3.245 1.275 -13.253 1.00 0.00 C ATOM 655 C ASP A 41 3.308 0.290 -12.081 1.00 0.00 C ATOM 656 O ASP A 41 4.049 -0.694 -12.122 1.00 0.00 O ATOM 657 CB ASP A 41 4.150 2.487 -13.002 1.00 0.00 C ATOM 658 CG ASP A 41 5.632 2.118 -12.913 1.00 0.00 C ATOM 659 OD1 ASP A 41 6.089 1.145 -13.545 1.00 0.00 O ATOM 660 OD2 ASP A 41 6.402 2.889 -12.292 1.00 0.00 O ATOM 0 H ASP A 41 1.751 2.735 -13.361 1.00 0.00 H new ATOM 0 HA ASP A 41 3.596 0.748 -14.140 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.009 3.211 -13.804 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.846 2.975 -12.076 1.00 0.00 H new ATOM 665 N ALA A 42 2.478 0.493 -11.048 1.00 0.00 N ATOM 666 CA ALA A 42 2.431 -0.361 -9.885 1.00 0.00 C ATOM 667 C ALA A 42 2.154 -1.786 -10.315 1.00 0.00 C ATOM 668 O ALA A 42 2.869 -2.687 -9.885 1.00 0.00 O ATOM 669 CB ALA A 42 1.364 0.126 -8.901 1.00 0.00 C ATOM 0 H ALA A 42 1.817 1.269 -11.010 1.00 0.00 H new ATOM 0 HA ALA A 42 3.395 -0.325 -9.377 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.344 -0.531 -8.031 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.599 1.142 -8.583 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.388 0.114 -9.387 1.00 0.00 H new ATOM 675 N LEU A 43 1.153 -1.980 -11.182 1.00 0.00 N ATOM 676 CA LEU A 43 0.773 -3.297 -11.664 1.00 0.00 C ATOM 677 C LEU A 43 1.960 -4.018 -12.326 1.00 0.00 C ATOM 678 O LEU A 43 2.186 -5.201 -12.052 1.00 0.00 O ATOM 679 CB LEU A 43 -0.445 -3.195 -12.599 1.00 0.00 C ATOM 680 CG LEU A 43 -1.426 -4.352 -12.328 1.00 0.00 C ATOM 681 CD1 LEU A 43 -2.384 -4.038 -11.173 1.00 0.00 C ATOM 682 CD2 LEU A 43 -2.237 -4.679 -13.584 1.00 0.00 C ATOM 0 H LEU A 43 0.588 -1.222 -11.565 1.00 0.00 H new ATOM 0 HA LEU A 43 0.481 -3.907 -10.809 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.948 -2.240 -12.449 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.118 -3.223 -13.638 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.823 -5.215 -12.045 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.057 -4.882 -11.018 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.811 -3.859 -10.263 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.967 -3.149 -11.415 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.923 -5.499 -13.371 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.805 -3.800 -13.889 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.561 -4.972 -14.388 1.00 0.00 H new ATOM 694 N ASN A 44 2.750 -3.308 -13.147 1.00 0.00 N ATOM 695 CA ASN A 44 3.974 -3.866 -13.729 1.00 0.00 C ATOM 696 C ASN A 44 4.930 -4.314 -12.630 1.00 0.00 C ATOM 697 O ASN A 44 5.465 -5.419 -12.718 1.00 0.00 O ATOM 698 CB ASN A 44 4.696 -2.891 -14.676 1.00 0.00 C ATOM 699 CG ASN A 44 6.104 -3.395 -14.999 1.00 0.00 C ATOM 700 OD1 ASN A 44 7.067 -3.100 -14.291 1.00 0.00 O ATOM 701 ND2 ASN A 44 6.281 -4.209 -16.022 1.00 0.00 N ATOM 0 H ASN A 44 2.559 -2.344 -13.421 1.00 0.00 H new ATOM 0 HA ASN A 44 3.663 -4.723 -14.327 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.124 -2.780 -15.597 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.754 -1.905 -14.216 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.208 -4.586 -16.219 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.491 -4.461 -16.616 1.00 0.00 H new ATOM 708 N LYS A 45 5.165 -3.488 -11.603 1.00 0.00 N ATOM 709 CA LYS A 45 6.014 -3.892 -10.482 1.00 0.00 C ATOM 710 C LYS A 45 5.488 -5.187 -9.860 1.00 0.00 C ATOM 711 O LYS A 45 6.279 -6.104 -9.660 1.00 0.00 O ATOM 712 CB LYS A 45 6.162 -2.771 -9.439 1.00 0.00 C ATOM 713 CG LYS A 45 7.397 -1.873 -9.640 1.00 0.00 C ATOM 714 CD LYS A 45 7.383 -1.089 -10.958 1.00 0.00 C ATOM 715 CE LYS A 45 7.913 0.342 -10.827 1.00 0.00 C ATOM 716 NZ LYS A 45 9.329 0.443 -10.408 1.00 0.00 N ATOM 0 H LYS A 45 4.782 -2.546 -11.527 1.00 0.00 H new ATOM 0 HA LYS A 45 7.016 -4.084 -10.867 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.268 -2.148 -9.463 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.212 -3.219 -8.447 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.462 -1.169 -8.810 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.294 -2.491 -9.605 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.982 -1.623 -11.695 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.363 -1.056 -11.340 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.795 0.847 -11.786 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.296 0.878 -10.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.735 1.330 -10.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.385 0.433 -9.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.863 -0.363 -10.792 1.00 0.00 H new ATOM 730 N LEU A 46 4.178 -5.323 -9.610 1.00 0.00 N ATOM 731 CA LEU A 46 3.623 -6.563 -9.038 1.00 0.00 C ATOM 732 C LEU A 46 3.965 -7.754 -9.927 1.00 0.00 C ATOM 733 O LEU A 46 4.288 -8.826 -9.413 1.00 0.00 O ATOM 734 CB LEU A 46 2.094 -6.542 -8.833 1.00 0.00 C ATOM 735 CG LEU A 46 1.518 -5.216 -8.352 1.00 0.00 C ATOM 736 CD1 LEU A 46 0.011 -5.330 -8.228 1.00 0.00 C ATOM 737 CD2 LEU A 46 2.120 -4.676 -7.052 1.00 0.00 C ATOM 0 H LEU A 46 3.485 -4.597 -9.792 1.00 0.00 H new ATOM 0 HA LEU A 46 4.082 -6.650 -8.053 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.614 -6.807 -9.775 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.830 -7.316 -8.112 1.00 0.00 H new ATOM 0 HG LEU A 46 1.793 -4.484 -9.112 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.399 -4.380 -7.884 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.416 -5.579 -9.199 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.237 -6.113 -7.511 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.643 -3.730 -6.796 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.956 -5.394 -6.249 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.190 -4.519 -7.185 1.00 0.00 H new ATOM 749 N GLN A 47 3.926 -7.563 -11.247 1.00 0.00 N ATOM 750 CA GLN A 47 4.356 -8.539 -12.245 1.00 0.00 C ATOM 751 C GLN A 47 5.889 -8.722 -12.324 1.00 0.00 C ATOM 752 O GLN A 47 6.424 -9.071 -13.382 1.00 0.00 O ATOM 753 CB GLN A 47 3.732 -8.194 -13.604 1.00 0.00 C ATOM 754 CG GLN A 47 2.205 -8.331 -13.600 1.00 0.00 C ATOM 755 CD GLN A 47 1.658 -8.200 -15.020 1.00 0.00 C ATOM 756 OE1 GLN A 47 2.135 -7.388 -15.814 1.00 0.00 O ATOM 757 NE2 GLN A 47 0.692 -9.011 -15.406 1.00 0.00 N ATOM 0 H GLN A 47 3.583 -6.697 -11.662 1.00 0.00 H new ATOM 0 HA GLN A 47 3.990 -9.515 -11.926 1.00 0.00 H new ATOM 0 HB2 GLN A 47 4.001 -7.173 -13.875 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.150 -8.848 -14.369 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.921 -9.296 -13.181 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.766 -7.564 -12.962 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.297 -9.683 -14.748 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.340 -8.966 -16.362 1.00 0.00 H new ATOM 766 N ALA A 48 6.621 -8.480 -11.236 1.00 0.00 N ATOM 767 CA ALA A 48 7.966 -9.005 -10.998 1.00 0.00 C ATOM 768 C ALA A 48 7.952 -10.117 -9.937 1.00 0.00 C ATOM 769 O ALA A 48 8.976 -10.776 -9.717 1.00 0.00 O ATOM 770 CB ALA A 48 8.895 -7.874 -10.559 1.00 0.00 C ATOM 0 H ALA A 48 6.283 -7.895 -10.472 1.00 0.00 H new ATOM 0 HA ALA A 48 8.332 -9.435 -11.930 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.895 -8.272 -10.383 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.938 -7.115 -11.340 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.516 -7.428 -9.640 1.00 0.00 H new ATOM 776 N GLY A 49 6.816 -10.330 -9.267 1.00 0.00 N ATOM 777 CA GLY A 49 6.636 -11.325 -8.224 1.00 0.00 C ATOM 778 C GLY A 49 7.444 -11.017 -6.967 1.00 0.00 C ATOM 779 O GLY A 49 8.288 -10.118 -6.936 1.00 0.00 O ATOM 0 H GLY A 49 5.969 -9.791 -9.448 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.579 -11.386 -7.965 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.927 -12.303 -8.607 1.00 0.00 H new ATOM 783 N GLY A 50 7.173 -11.758 -5.894 1.00 0.00 N ATOM 784 CA GLY A 50 7.814 -11.572 -4.597 1.00 0.00 C ATOM 785 C GLY A 50 7.382 -10.290 -3.891 1.00 0.00 C ATOM 786 O GLY A 50 7.818 -10.046 -2.771 1.00 0.00 O ATOM 0 H GLY A 50 6.491 -12.516 -5.903 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.584 -12.426 -3.959 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.895 -11.558 -4.732 1.00 0.00 H new ATOM 790 N TYR A 51 6.529 -9.464 -4.500 1.00 0.00 N ATOM 791 CA TYR A 51 5.859 -8.390 -3.793 1.00 0.00 C ATOM 792 C TYR A 51 4.921 -9.046 -2.798 1.00 0.00 C ATOM 793 O TYR A 51 3.955 -9.691 -3.205 1.00 0.00 O ATOM 794 CB TYR A 51 5.113 -7.469 -4.763 1.00 0.00 C ATOM 795 CG TYR A 51 6.036 -6.457 -5.399 1.00 0.00 C ATOM 796 CD1 TYR A 51 6.796 -6.797 -6.533 1.00 0.00 C ATOM 797 CD2 TYR A 51 6.182 -5.191 -4.808 1.00 0.00 C ATOM 798 CE1 TYR A 51 7.674 -5.856 -7.091 1.00 0.00 C ATOM 799 CE2 TYR A 51 7.060 -4.248 -5.370 1.00 0.00 C ATOM 800 CZ TYR A 51 7.781 -4.567 -6.539 1.00 0.00 C ATOM 801 OH TYR A 51 8.609 -3.663 -7.121 1.00 0.00 O ATOM 0 H TYR A 51 6.290 -9.526 -5.490 1.00 0.00 H new ATOM 0 HA TYR A 51 6.576 -7.753 -3.275 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.639 -8.068 -5.541 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.316 -6.950 -4.231 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.704 -7.779 -6.972 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.619 -4.942 -3.921 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.272 -6.123 -7.950 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.182 -3.280 -4.907 1.00 0.00 H new ATOM 0 HH TYR A 51 8.857 -3.975 -8.016 1.00 0.00 H new ATOM 811 N GLY A 52 5.218 -8.901 -1.513 1.00 0.00 N ATOM 812 CA GLY A 52 4.325 -9.320 -0.450 1.00 0.00 C ATOM 813 C GLY A 52 3.338 -8.218 -0.089 1.00 0.00 C ATOM 814 O GLY A 52 2.436 -8.472 0.706 1.00 0.00 O ATOM 0 H GLY A 52 6.089 -8.487 -1.181 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.780 -10.212 -0.760 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.907 -9.592 0.430 1.00 0.00 H new ATOM 818 N PHE A 53 3.517 -6.996 -0.607 1.00 0.00 N ATOM 819 CA PHE A 53 2.821 -5.821 -0.110 1.00 0.00 C ATOM 820 C PHE A 53 2.708 -4.750 -1.187 1.00 0.00 C ATOM 821 O PHE A 53 3.646 -4.565 -1.969 1.00 0.00 O ATOM 822 CB PHE A 53 3.615 -5.262 1.076 1.00 0.00 C ATOM 823 CG PHE A 53 2.757 -4.817 2.231 1.00 0.00 C ATOM 824 CD1 PHE A 53 2.005 -3.632 2.146 1.00 0.00 C ATOM 825 CD2 PHE A 53 2.763 -5.562 3.422 1.00 0.00 C ATOM 826 CE1 PHE A 53 1.287 -3.179 3.261 1.00 0.00 C ATOM 827 CE2 PHE A 53 2.083 -5.080 4.548 1.00 0.00 C ATOM 828 CZ PHE A 53 1.351 -3.881 4.472 1.00 0.00 C ATOM 0 H PHE A 53 4.151 -6.803 -1.383 1.00 0.00 H new ATOM 0 HA PHE A 53 1.812 -6.104 0.191 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.311 -6.024 1.426 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.213 -4.417 0.734 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.981 -3.072 1.223 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.290 -6.503 3.469 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.683 -2.287 3.187 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.121 -5.630 5.477 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.840 -3.503 5.345 1.00 0.00 H new ATOM 838 N VAL A 54 1.595 -4.017 -1.183 1.00 0.00 N ATOM 839 CA VAL A 54 1.283 -2.985 -2.164 1.00 0.00 C ATOM 840 C VAL A 54 0.716 -1.799 -1.381 1.00 0.00 C ATOM 841 O VAL A 54 -0.356 -1.923 -0.787 1.00 0.00 O ATOM 842 CB VAL A 54 0.271 -3.539 -3.196 1.00 0.00 C ATOM 843 CG1 VAL A 54 0.274 -2.767 -4.516 1.00 0.00 C ATOM 844 CG2 VAL A 54 0.517 -5.000 -3.558 1.00 0.00 C ATOM 0 H VAL A 54 0.868 -4.130 -0.477 1.00 0.00 H new ATOM 0 HA VAL A 54 2.162 -2.670 -2.726 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.687 -3.427 -2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.457 -3.205 -5.196 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.016 -1.725 -4.329 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.265 -2.820 -4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.227 -5.325 -4.285 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.514 -5.106 -3.987 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.441 -5.615 -2.661 1.00 0.00 H new ATOM 854 N ILE A 55 1.420 -0.673 -1.299 1.00 0.00 N ATOM 855 CA ILE A 55 0.918 0.518 -0.619 1.00 0.00 C ATOM 856 C ILE A 55 0.750 1.560 -1.725 1.00 0.00 C ATOM 857 O ILE A 55 1.647 1.697 -2.564 1.00 0.00 O ATOM 858 CB ILE A 55 1.925 0.954 0.474 1.00 0.00 C ATOM 859 CG1 ILE A 55 1.780 0.057 1.725 1.00 0.00 C ATOM 860 CG2 ILE A 55 1.639 2.395 0.920 1.00 0.00 C ATOM 861 CD1 ILE A 55 3.140 -0.325 2.321 1.00 0.00 C ATOM 0 H ILE A 55 2.351 -0.560 -1.700 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.028 0.360 -0.102 1.00 0.00 H new ATOM 0 HB ILE A 55 2.926 0.871 0.050 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.188 0.578 2.478 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.233 -0.848 1.460 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.355 2.687 1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.730 3.065 0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.628 2.457 1.323 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.989 -0.955 3.198 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.723 -0.870 1.578 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.677 0.578 2.611 1.00 0.00 H new ATOM 873 N SER A 56 -0.361 2.299 -1.729 1.00 0.00 N ATOM 874 CA SER A 56 -0.505 3.433 -2.637 1.00 0.00 C ATOM 875 C SER A 56 -1.325 4.546 -2.001 1.00 0.00 C ATOM 876 O SER A 56 -2.082 4.304 -1.060 1.00 0.00 O ATOM 877 CB SER A 56 -1.137 2.976 -3.962 1.00 0.00 C ATOM 878 OG SER A 56 -2.482 2.564 -3.803 1.00 0.00 O ATOM 0 H SER A 56 -1.163 2.134 -1.121 1.00 0.00 H new ATOM 0 HA SER A 56 0.488 3.833 -2.845 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.092 3.792 -4.683 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.554 2.153 -4.375 1.00 0.00 H new ATOM 0 HG SER A 56 -3.063 3.352 -3.767 1.00 0.00 H new ATOM 884 N ASP A 57 -1.221 5.747 -2.571 1.00 0.00 N ATOM 885 CA ASP A 57 -2.230 6.792 -2.408 1.00 0.00 C ATOM 886 C ASP A 57 -3.444 6.433 -3.297 1.00 0.00 C ATOM 887 O ASP A 57 -3.599 5.282 -3.729 1.00 0.00 O ATOM 888 CB ASP A 57 -1.568 8.167 -2.648 1.00 0.00 C ATOM 889 CG ASP A 57 -2.497 9.372 -2.449 1.00 0.00 C ATOM 890 OD1 ASP A 57 -2.651 9.874 -1.316 1.00 0.00 O ATOM 891 OD2 ASP A 57 -3.128 9.817 -3.430 1.00 0.00 O ATOM 0 H ASP A 57 -0.434 6.022 -3.159 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.631 6.860 -1.397 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.717 8.267 -1.975 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.175 8.193 -3.664 1.00 0.00 H new ATOM 896 N TRP A 58 -4.365 7.372 -3.488 1.00 0.00 N ATOM 897 CA TRP A 58 -5.623 7.240 -4.194 1.00 0.00 C ATOM 898 C TRP A 58 -5.630 8.100 -5.461 1.00 0.00 C ATOM 899 O TRP A 58 -5.966 7.617 -6.543 1.00 0.00 O ATOM 900 CB TRP A 58 -6.733 7.683 -3.233 1.00 0.00 C ATOM 901 CG TRP A 58 -8.114 7.491 -3.761 1.00 0.00 C ATOM 902 CD1 TRP A 58 -8.693 8.193 -4.759 1.00 0.00 C ATOM 903 CD2 TRP A 58 -9.086 6.488 -3.368 1.00 0.00 C ATOM 904 NE1 TRP A 58 -9.937 7.669 -5.033 1.00 0.00 N ATOM 905 CE2 TRP A 58 -10.247 6.633 -4.182 1.00 0.00 C ATOM 906 CE3 TRP A 58 -9.082 5.455 -2.408 1.00 0.00 C ATOM 907 CZ2 TRP A 58 -11.372 5.813 -4.024 1.00 0.00 C ATOM 908 CZ3 TRP A 58 -10.191 4.608 -2.271 1.00 0.00 C ATOM 909 CH2 TRP A 58 -11.332 4.793 -3.062 1.00 0.00 C ATOM 0 H TRP A 58 -4.236 8.316 -3.123 1.00 0.00 H new ATOM 0 HA TRP A 58 -5.777 6.208 -4.508 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -6.633 7.128 -2.300 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -6.591 8.737 -2.994 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -8.248 9.037 -5.265 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -10.551 8.007 -5.774 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -8.219 5.315 -1.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -12.253 5.963 -4.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -10.165 3.805 -1.549 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -12.187 4.146 -2.930 1.00 0.00 H new ATOM 920 N ASN A 59 -5.317 9.387 -5.292 1.00 0.00 N ATOM 921 CA ASN A 59 -5.482 10.471 -6.246 1.00 0.00 C ATOM 922 C ASN A 59 -4.543 10.276 -7.441 1.00 0.00 C ATOM 923 O ASN A 59 -3.421 10.792 -7.433 1.00 0.00 O ATOM 924 CB ASN A 59 -5.181 11.811 -5.537 1.00 0.00 C ATOM 925 CG ASN A 59 -6.238 12.251 -4.531 1.00 0.00 C ATOM 926 OD1 ASN A 59 -7.326 11.689 -4.427 1.00 0.00 O ATOM 927 ND2 ASN A 59 -5.935 13.280 -3.757 1.00 0.00 N ATOM 0 H ASN A 59 -4.911 9.717 -4.416 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.506 10.478 -6.619 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.223 11.728 -5.024 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.071 12.589 -6.292 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -6.607 13.614 -3.066 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.029 13.740 -3.851 1.00 0.00 H new ATOM 934 N MET A 60 -4.956 9.525 -8.461 1.00 0.00 N ATOM 935 CA MET A 60 -4.190 9.277 -9.682 1.00 0.00 C ATOM 936 C MET A 60 -5.145 9.235 -10.874 1.00 0.00 C ATOM 937 O MET A 60 -6.322 8.907 -10.703 1.00 0.00 O ATOM 938 CB MET A 60 -3.412 7.950 -9.558 1.00 0.00 C ATOM 939 CG MET A 60 -1.997 8.183 -9.017 1.00 0.00 C ATOM 940 SD MET A 60 -1.218 6.726 -8.279 1.00 0.00 S ATOM 941 CE MET A 60 0.137 7.551 -7.392 1.00 0.00 C ATOM 0 H MET A 60 -5.862 9.057 -8.460 1.00 0.00 H new ATOM 0 HA MET A 60 -3.469 10.080 -9.833 1.00 0.00 H new ATOM 0 HB2 MET A 60 -3.950 7.271 -8.896 1.00 0.00 H new ATOM 0 HB3 MET A 60 -3.356 7.466 -10.533 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.367 8.542 -9.831 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.035 8.975 -8.270 1.00 0.00 H new ATOM 0 HE1 MET A 60 0.404 6.967 -6.511 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.004 7.634 -8.048 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.182 8.547 -7.085 1.00 0.00 H new ATOM 951 N PRO A 61 -4.671 9.564 -12.086 1.00 0.00 N ATOM 952 CA PRO A 61 -5.390 9.268 -13.310 1.00 0.00 C ATOM 953 C PRO A 61 -5.191 7.786 -13.638 1.00 0.00 C ATOM 954 O PRO A 61 -4.444 7.077 -12.963 1.00 0.00 O ATOM 955 CB PRO A 61 -4.732 10.164 -14.360 1.00 0.00 C ATOM 956 CG PRO A 61 -3.265 10.128 -13.943 1.00 0.00 C ATOM 957 CD PRO A 61 -3.332 10.033 -12.416 1.00 0.00 C ATOM 0 HA PRO A 61 -6.463 9.449 -13.252 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.877 9.781 -15.370 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.136 11.176 -14.342 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.745 9.274 -14.376 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.733 11.023 -14.267 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.576 9.345 -12.037 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.138 11.003 -11.959 1.00 0.00 H new ATOM 965 N ASN A 62 -5.778 7.354 -14.749 1.00 0.00 N ATOM 966 CA ASN A 62 -5.672 6.022 -15.314 1.00 0.00 C ATOM 967 C ASN A 62 -6.070 4.983 -14.275 1.00 0.00 C ATOM 968 O ASN A 62 -7.249 4.647 -14.173 1.00 0.00 O ATOM 969 CB ASN A 62 -4.277 5.767 -15.910 1.00 0.00 C ATOM 970 CG ASN A 62 -4.013 6.630 -17.126 1.00 0.00 C ATOM 971 OD1 ASN A 62 -4.699 6.495 -18.138 1.00 0.00 O ATOM 972 ND2 ASN A 62 -3.030 7.511 -17.062 1.00 0.00 N ATOM 0 H ASN A 62 -6.374 7.963 -15.309 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.369 5.937 -16.148 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.518 5.965 -15.153 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.187 4.716 -16.185 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.822 8.103 -17.866 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.479 7.599 -16.208 1.00 0.00 H new ATOM 979 N MET A 63 -5.096 4.430 -13.556 1.00 0.00 N ATOM 980 CA MET A 63 -5.322 3.576 -12.416 1.00 0.00 C ATOM 981 C MET A 63 -5.345 4.466 -11.166 1.00 0.00 C ATOM 982 O MET A 63 -4.361 4.559 -10.431 1.00 0.00 O ATOM 983 CB MET A 63 -4.251 2.488 -12.380 1.00 0.00 C ATOM 984 CG MET A 63 -4.679 1.339 -11.469 1.00 0.00 C ATOM 985 SD MET A 63 -5.327 -0.124 -12.328 1.00 0.00 S ATOM 986 CE MET A 63 -3.785 -0.772 -13.033 1.00 0.00 C ATOM 0 H MET A 63 -4.108 4.573 -13.763 1.00 0.00 H new ATOM 0 HA MET A 63 -6.278 3.055 -12.470 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.073 2.113 -13.388 1.00 0.00 H new ATOM 0 HB3 MET A 63 -3.310 2.909 -12.025 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.824 1.037 -10.864 1.00 0.00 H new ATOM 0 HG3 MET A 63 -5.442 1.705 -10.782 1.00 0.00 H new ATOM 0 HE1 MET A 63 -3.971 -1.750 -13.477 1.00 0.00 H new ATOM 0 HE2 MET A 63 -3.420 -0.088 -13.800 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.037 -0.867 -12.246 1.00 0.00 H new ATOM 996 N ASP A 64 -6.493 5.106 -10.924 1.00 0.00 N ATOM 997 CA ASP A 64 -6.844 5.626 -9.600 1.00 0.00 C ATOM 998 C ASP A 64 -6.681 4.492 -8.576 1.00 0.00 C ATOM 999 O ASP A 64 -6.823 3.313 -8.922 1.00 0.00 O ATOM 1000 CB ASP A 64 -8.273 6.182 -9.671 1.00 0.00 C ATOM 1001 CG ASP A 64 -8.927 6.415 -8.311 1.00 0.00 C ATOM 1002 OD1 ASP A 64 -9.333 5.414 -7.672 1.00 0.00 O ATOM 1003 OD2 ASP A 64 -9.188 7.587 -7.969 1.00 0.00 O ATOM 0 H ASP A 64 -7.202 5.277 -11.637 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.192 6.440 -9.284 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.257 7.124 -10.219 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.891 5.491 -10.244 1.00 0.00 H new ATOM 1008 N GLY A 65 -6.342 4.811 -7.326 1.00 0.00 N ATOM 1009 CA GLY A 65 -5.955 3.801 -6.341 1.00 0.00 C ATOM 1010 C GLY A 65 -7.038 2.749 -6.094 1.00 0.00 C ATOM 1011 O GLY A 65 -6.720 1.607 -5.749 1.00 0.00 O ATOM 0 H GLY A 65 -6.328 5.767 -6.971 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.046 3.304 -6.679 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.717 4.295 -5.399 1.00 0.00 H new ATOM 1015 N LEU A 66 -8.316 3.089 -6.283 1.00 0.00 N ATOM 1016 CA LEU A 66 -9.402 2.126 -6.132 1.00 0.00 C ATOM 1017 C LEU A 66 -9.403 1.136 -7.291 1.00 0.00 C ATOM 1018 O LEU A 66 -9.689 -0.045 -7.088 1.00 0.00 O ATOM 1019 CB LEU A 66 -10.742 2.875 -6.017 1.00 0.00 C ATOM 1020 CG LEU A 66 -11.873 2.184 -5.233 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -12.711 1.190 -6.029 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -11.386 1.438 -3.996 1.00 0.00 C ATOM 0 H LEU A 66 -8.621 4.027 -6.541 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.255 1.550 -5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.549 3.841 -5.550 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.104 3.075 -7.025 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.494 3.038 -4.962 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -13.478 0.761 -5.384 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.186 1.702 -6.866 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.069 0.394 -6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -12.235 0.976 -3.492 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.676 0.666 -4.293 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.899 2.138 -3.317 1.00 0.00 H new ATOM 1034 N GLU A 67 -9.034 1.589 -8.490 1.00 0.00 N ATOM 1035 CA GLU A 67 -8.844 0.729 -9.647 1.00 0.00 C ATOM 1036 C GLU A 67 -7.660 -0.198 -9.404 1.00 0.00 C ATOM 1037 O GLU A 67 -7.763 -1.385 -9.712 1.00 0.00 O ATOM 1038 CB GLU A 67 -8.590 1.521 -10.942 1.00 0.00 C ATOM 1039 CG GLU A 67 -9.534 2.693 -11.209 1.00 0.00 C ATOM 1040 CD GLU A 67 -11.013 2.337 -11.416 1.00 0.00 C ATOM 1041 OE1 GLU A 67 -11.435 1.159 -11.285 1.00 0.00 O ATOM 1042 OE2 GLU A 67 -11.804 3.257 -11.728 1.00 0.00 O ATOM 0 H GLU A 67 -8.858 2.575 -8.682 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.767 0.163 -9.776 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.569 1.902 -10.917 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.652 0.831 -11.784 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.463 3.388 -10.373 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.182 3.222 -12.094 1.00 0.00 H new ATOM 1049 N LEU A 68 -6.553 0.308 -8.840 1.00 0.00 N ATOM 1050 CA LEU A 68 -5.372 -0.502 -8.543 1.00 0.00 C ATOM 1051 C LEU A 68 -5.771 -1.631 -7.599 1.00 0.00 C ATOM 1052 O LEU A 68 -5.501 -2.799 -7.890 1.00 0.00 O ATOM 1053 CB LEU A 68 -4.238 0.354 -7.950 1.00 0.00 C ATOM 1054 CG LEU A 68 -2.958 -0.453 -7.627 1.00 0.00 C ATOM 1055 CD1 LEU A 68 -2.306 -1.079 -8.873 1.00 0.00 C ATOM 1056 CD2 LEU A 68 -1.949 0.454 -6.915 1.00 0.00 C ATOM 0 H LEU A 68 -6.456 1.289 -8.579 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.987 -0.929 -9.469 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.989 1.149 -8.653 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.595 0.834 -7.039 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.256 -1.279 -6.981 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.414 -1.631 -8.578 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.012 -1.759 -9.350 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.030 -0.291 -9.574 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.047 -0.114 -6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.695 1.294 -7.562 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.386 0.828 -5.989 1.00 0.00 H new ATOM 1068 N LEU A 69 -6.467 -1.284 -6.508 1.00 0.00 N ATOM 1069 CA LEU A 69 -7.044 -2.226 -5.562 1.00 0.00 C ATOM 1070 C LEU A 69 -7.875 -3.245 -6.317 1.00 0.00 C ATOM 1071 O LEU A 69 -7.550 -4.424 -6.258 1.00 0.00 O ATOM 1072 CB LEU A 69 -7.812 -1.475 -4.455 1.00 0.00 C ATOM 1073 CG LEU A 69 -9.007 -2.173 -3.769 1.00 0.00 C ATOM 1074 CD1 LEU A 69 -8.831 -3.602 -3.239 1.00 0.00 C ATOM 1075 CD2 LEU A 69 -9.393 -1.360 -2.529 1.00 0.00 C ATOM 0 H LEU A 69 -6.645 -0.311 -6.260 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.263 -2.782 -5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.095 -1.210 -3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.177 -0.541 -4.883 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.733 -2.231 -4.580 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.764 -3.940 -2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.564 -4.265 -4.062 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.040 -3.617 -2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.236 -1.837 -2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.545 -1.314 -1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.673 -0.350 -2.829 1.00 0.00 H new ATOM 1087 N LYS A 70 -8.934 -2.843 -7.019 1.00 0.00 N ATOM 1088 CA LYS A 70 -9.842 -3.830 -7.607 1.00 0.00 C ATOM 1089 C LYS A 70 -9.165 -4.683 -8.677 1.00 0.00 C ATOM 1090 O LYS A 70 -9.495 -5.867 -8.795 1.00 0.00 O ATOM 1091 CB LYS A 70 -11.082 -3.154 -8.182 1.00 0.00 C ATOM 1092 CG LYS A 70 -12.020 -2.630 -7.091 1.00 0.00 C ATOM 1093 CD LYS A 70 -13.315 -2.133 -7.751 1.00 0.00 C ATOM 1094 CE LYS A 70 -14.462 -1.983 -6.751 1.00 0.00 C ATOM 1095 NZ LYS A 70 -15.737 -1.719 -7.443 1.00 0.00 N ATOM 0 H LYS A 70 -9.181 -1.869 -7.192 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.141 -4.497 -6.799 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.777 -2.327 -8.823 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.621 -3.863 -8.811 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.241 -3.419 -6.372 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.542 -1.820 -6.539 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.129 -1.173 -8.232 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.610 -2.830 -8.535 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.550 -2.891 -6.154 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.243 -1.168 -6.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.499 -1.621 -6.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.658 -0.840 -7.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.955 -2.509 -8.083 1.00 0.00 H new ATOM 1109 N THR A 71 -8.234 -4.123 -9.443 1.00 0.00 N ATOM 1110 CA THR A 71 -7.457 -4.855 -10.429 1.00 0.00 C ATOM 1111 C THR A 71 -6.697 -5.978 -9.721 1.00 0.00 C ATOM 1112 O THR A 71 -6.768 -7.125 -10.165 1.00 0.00 O ATOM 1113 CB THR A 71 -6.531 -3.885 -11.185 1.00 0.00 C ATOM 1114 OG1 THR A 71 -7.322 -2.915 -11.841 1.00 0.00 O ATOM 1115 CG2 THR A 71 -5.682 -4.576 -12.254 1.00 0.00 C ATOM 0 H THR A 71 -7.997 -3.132 -9.393 1.00 0.00 H new ATOM 0 HA THR A 71 -8.105 -5.314 -11.176 1.00 0.00 H new ATOM 0 HB THR A 71 -5.862 -3.449 -10.444 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.480 -2.159 -11.237 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.051 -3.839 -12.751 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.054 -5.334 -11.786 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.335 -5.048 -12.988 1.00 0.00 H new ATOM 1123 N ILE A 72 -6.017 -5.669 -8.616 1.00 0.00 N ATOM 1124 CA ILE A 72 -5.277 -6.629 -7.810 1.00 0.00 C ATOM 1125 C ILE A 72 -6.259 -7.644 -7.210 1.00 0.00 C ATOM 1126 O ILE A 72 -6.029 -8.848 -7.270 1.00 0.00 O ATOM 1127 CB ILE A 72 -4.489 -5.842 -6.736 1.00 0.00 C ATOM 1128 CG1 ILE A 72 -3.234 -5.214 -7.375 1.00 0.00 C ATOM 1129 CG2 ILE A 72 -4.056 -6.733 -5.565 1.00 0.00 C ATOM 1130 CD1 ILE A 72 -2.659 -4.094 -6.501 1.00 0.00 C ATOM 0 H ILE A 72 -5.967 -4.718 -8.251 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.561 -7.196 -8.405 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.153 -5.070 -6.346 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.477 -5.984 -7.526 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.485 -4.817 -8.358 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.506 -6.136 -4.837 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.938 -7.163 -5.090 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.416 -7.534 -5.935 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.776 -3.674 -6.982 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.408 -3.312 -6.372 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.384 -4.498 -5.527 1.00 0.00 H new ATOM 1142 N ARG A 73 -7.353 -7.165 -6.605 1.00 0.00 N ATOM 1143 CA ARG A 73 -8.284 -7.989 -5.840 1.00 0.00 C ATOM 1144 C ARG A 73 -8.893 -9.092 -6.700 1.00 0.00 C ATOM 1145 O ARG A 73 -9.218 -10.134 -6.145 1.00 0.00 O ATOM 1146 CB ARG A 73 -9.372 -7.116 -5.167 1.00 0.00 C ATOM 1147 CG ARG A 73 -9.463 -7.319 -3.636 1.00 0.00 C ATOM 1148 CD ARG A 73 -10.714 -8.054 -3.147 1.00 0.00 C ATOM 1149 NE ARG A 73 -10.787 -9.448 -3.607 1.00 0.00 N ATOM 1150 CZ ARG A 73 -11.634 -9.947 -4.521 1.00 0.00 C ATOM 1151 NH1 ARG A 73 -12.461 -9.164 -5.204 1.00 0.00 N ATOM 1152 NH2 ARG A 73 -11.658 -11.251 -4.750 1.00 0.00 N ATOM 0 H ARG A 73 -7.616 -6.180 -6.636 1.00 0.00 H new ATOM 0 HA ARG A 73 -7.721 -8.481 -5.047 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -9.165 -6.066 -5.375 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -10.339 -7.345 -5.614 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.584 -7.873 -3.307 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.423 -6.342 -3.154 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.734 -8.037 -2.057 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.599 -7.519 -3.491 1.00 0.00 H new ATOM 0 HE ARG A 73 -10.126 -10.103 -3.189 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.463 -8.157 -5.040 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.095 -9.569 -5.893 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.035 -11.871 -4.233 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.300 -11.635 -5.443 1.00 0.00 H new ATOM 1166 N ALA A 74 -9.033 -8.877 -8.012 1.00 0.00 N ATOM 1167 CA ALA A 74 -9.673 -9.801 -8.933 1.00 0.00 C ATOM 1168 C ALA A 74 -9.123 -11.224 -8.801 1.00 0.00 C ATOM 1169 O ALA A 74 -9.861 -12.114 -8.385 1.00 0.00 O ATOM 1170 CB ALA A 74 -9.549 -9.282 -10.369 1.00 0.00 C ATOM 0 H ALA A 74 -8.693 -8.030 -8.468 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.730 -9.855 -8.672 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.032 -9.981 -11.052 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.031 -8.308 -10.447 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.495 -9.187 -10.632 1.00 0.00 H new ATOM 1176 N ASP A 75 -7.868 -11.458 -9.197 1.00 0.00 N ATOM 1177 CA ASP A 75 -7.286 -12.788 -9.396 1.00 0.00 C ATOM 1178 C ASP A 75 -5.782 -12.656 -9.689 1.00 0.00 C ATOM 1179 O ASP A 75 -5.110 -11.847 -9.051 1.00 0.00 O ATOM 1180 CB ASP A 75 -8.044 -13.603 -10.467 1.00 0.00 C ATOM 1181 CG ASP A 75 -7.895 -13.072 -11.888 1.00 0.00 C ATOM 1182 OD1 ASP A 75 -8.514 -12.043 -12.231 1.00 0.00 O ATOM 1183 OD2 ASP A 75 -7.180 -13.716 -12.693 1.00 0.00 O ATOM 0 H ASP A 75 -7.210 -10.704 -9.394 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.397 -13.361 -8.476 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.690 -14.634 -10.439 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -9.103 -13.622 -10.209 1.00 0.00 H new ATOM 1188 N GLY A 76 -5.198 -13.495 -10.556 1.00 0.00 N ATOM 1189 CA GLY A 76 -3.764 -13.511 -10.851 1.00 0.00 C ATOM 1190 C GLY A 76 -2.921 -13.969 -9.658 1.00 0.00 C ATOM 1191 O GLY A 76 -1.707 -13.764 -9.646 1.00 0.00 O ATOM 0 H GLY A 76 -5.723 -14.195 -11.081 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.579 -14.173 -11.697 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.448 -12.512 -11.152 1.00 0.00 H new ATOM 1195 N ALA A 77 -3.567 -14.535 -8.632 1.00 0.00 N ATOM 1196 CA ALA A 77 -3.103 -14.671 -7.251 1.00 0.00 C ATOM 1197 C ALA A 77 -2.653 -13.347 -6.612 1.00 0.00 C ATOM 1198 O ALA A 77 -2.147 -13.350 -5.487 1.00 0.00 O ATOM 1199 CB ALA A 77 -2.063 -15.785 -7.108 1.00 0.00 C ATOM 0 H ALA A 77 -4.495 -14.939 -8.757 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.976 -14.973 -6.672 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.744 -15.854 -6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.502 -16.734 -7.416 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.202 -15.562 -7.738 1.00 0.00 H new ATOM 1205 N MET A 78 -2.882 -12.206 -7.268 1.00 0.00 N ATOM 1206 CA MET A 78 -2.686 -10.899 -6.663 1.00 0.00 C ATOM 1207 C MET A 78 -3.758 -10.636 -5.612 1.00 0.00 C ATOM 1208 O MET A 78 -3.586 -9.775 -4.761 1.00 0.00 O ATOM 1209 CB MET A 78 -2.726 -9.774 -7.704 1.00 0.00 C ATOM 1210 CG MET A 78 -1.975 -10.029 -9.016 1.00 0.00 C ATOM 1211 SD MET A 78 -2.165 -8.667 -10.201 1.00 0.00 S ATOM 1212 CE MET A 78 -3.906 -8.894 -10.681 1.00 0.00 C ATOM 0 H MET A 78 -3.209 -12.170 -8.234 1.00 0.00 H new ATOM 0 HA MET A 78 -1.699 -10.907 -6.200 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.769 -9.567 -7.943 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.319 -8.872 -7.247 1.00 0.00 H new ATOM 0 HG2 MET A 78 -0.916 -10.176 -8.802 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.340 -10.952 -9.466 1.00 0.00 H new ATOM 0 HE1 MET A 78 -3.959 -9.181 -11.731 1.00 0.00 H new ATOM 0 HE2 MET A 78 -4.353 -9.676 -10.068 1.00 0.00 H new ATOM 0 HE3 MET A 78 -4.449 -7.961 -10.531 1.00 0.00 H new ATOM 1222 N SER A 79 -4.850 -11.396 -5.628 1.00 0.00 N ATOM 1223 CA SER A 79 -5.993 -11.187 -4.755 1.00 0.00 C ATOM 1224 C SER A 79 -5.632 -11.304 -3.266 1.00 0.00 C ATOM 1225 O SER A 79 -6.323 -10.722 -2.425 1.00 0.00 O ATOM 1226 CB SER A 79 -7.135 -12.119 -5.178 1.00 0.00 C ATOM 1227 OG SER A 79 -6.774 -13.487 -5.179 1.00 0.00 O ATOM 0 H SER A 79 -4.964 -12.188 -6.261 1.00 0.00 H new ATOM 0 HA SER A 79 -6.337 -10.159 -4.870 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.980 -11.975 -4.505 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.471 -11.839 -6.176 1.00 0.00 H new ATOM 0 HG SER A 79 -7.543 -14.028 -5.455 1.00 0.00 H new ATOM 1233 N ALA A 80 -4.532 -11.991 -2.930 1.00 0.00 N ATOM 1234 CA ALA A 80 -3.994 -12.107 -1.579 1.00 0.00 C ATOM 1235 C ALA A 80 -3.043 -10.957 -1.194 1.00 0.00 C ATOM 1236 O ALA A 80 -2.540 -10.949 -0.067 1.00 0.00 O ATOM 1237 CB ALA A 80 -3.262 -13.449 -1.468 1.00 0.00 C ATOM 0 H ALA A 80 -3.977 -12.497 -3.620 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.831 -12.050 -0.883 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.851 -13.557 -0.464 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.961 -14.262 -1.663 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.453 -13.483 -2.197 1.00 0.00 H new ATOM 1243 N LEU A 81 -2.733 -10.019 -2.094 1.00 0.00 N ATOM 1244 CA LEU A 81 -1.863 -8.882 -1.791 1.00 0.00 C ATOM 1245 C LEU A 81 -2.576 -7.955 -0.810 1.00 0.00 C ATOM 1246 O LEU A 81 -3.716 -7.562 -1.080 1.00 0.00 O ATOM 1247 CB LEU A 81 -1.523 -8.059 -3.048 1.00 0.00 C ATOM 1248 CG LEU A 81 -0.418 -8.642 -3.946 1.00 0.00 C ATOM 1249 CD1 LEU A 81 -0.237 -7.814 -5.234 1.00 0.00 C ATOM 1250 CD2 LEU A 81 0.924 -8.684 -3.205 1.00 0.00 C ATOM 0 H LEU A 81 -3.079 -10.028 -3.053 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.939 -9.282 -1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.429 -7.948 -3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.222 -7.059 -2.735 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.730 -9.653 -4.209 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.552 -8.256 -5.843 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.170 -7.809 -5.797 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.036 -6.791 -4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.689 -9.100 -3.861 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.209 -7.674 -2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.830 -9.308 -2.316 1.00 0.00 H new ATOM 1262 N PRO A 82 -1.933 -7.541 0.292 1.00 0.00 N ATOM 1263 CA PRO A 82 -2.414 -6.431 1.081 1.00 0.00 C ATOM 1264 C PRO A 82 -2.184 -5.135 0.296 1.00 0.00 C ATOM 1265 O PRO A 82 -1.075 -4.602 0.258 1.00 0.00 O ATOM 1266 CB PRO A 82 -1.647 -6.490 2.396 1.00 0.00 C ATOM 1267 CG PRO A 82 -0.318 -7.131 2.009 1.00 0.00 C ATOM 1268 CD PRO A 82 -0.662 -8.017 0.810 1.00 0.00 C ATOM 0 HA PRO A 82 -3.482 -6.473 1.293 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.504 -5.497 2.821 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.176 -7.083 3.142 1.00 0.00 H new ATOM 0 HG2 PRO A 82 0.426 -6.378 1.747 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.096 -7.716 2.830 1.00 0.00 H new ATOM 0 HD2 PRO A 82 0.114 -7.955 0.048 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.733 -9.063 1.109 1.00 0.00 H new ATOM 1276 N VAL A 83 -3.237 -4.669 -0.373 1.00 0.00 N ATOM 1277 CA VAL A 83 -3.365 -3.327 -0.924 1.00 0.00 C ATOM 1278 C VAL A 83 -3.730 -2.388 0.220 1.00 0.00 C ATOM 1279 O VAL A 83 -4.835 -2.491 0.772 1.00 0.00 O ATOM 1280 CB VAL A 83 -4.397 -3.296 -2.068 1.00 0.00 C ATOM 1281 CG1 VAL A 83 -3.702 -3.680 -3.371 1.00 0.00 C ATOM 1282 CG2 VAL A 83 -5.598 -4.236 -1.876 1.00 0.00 C ATOM 0 H VAL A 83 -4.060 -5.245 -0.552 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.424 -3.000 -1.367 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.792 -2.280 -2.083 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.424 -3.661 -4.188 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.901 -2.971 -3.579 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.284 -4.683 -3.279 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.270 -4.146 -2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.246 -5.265 -1.798 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.131 -3.964 -0.965 1.00 0.00 H new ATOM 1292 N LEU A 84 -2.786 -1.558 0.655 1.00 0.00 N ATOM 1293 CA LEU A 84 -2.931 -0.639 1.773 1.00 0.00 C ATOM 1294 C LEU A 84 -3.039 0.771 1.208 1.00 0.00 C ATOM 1295 O LEU A 84 -2.119 1.255 0.541 1.00 0.00 O ATOM 1296 CB LEU A 84 -1.744 -0.802 2.733 1.00 0.00 C ATOM 1297 CG LEU A 84 -1.845 0.015 4.036 1.00 0.00 C ATOM 1298 CD1 LEU A 84 -3.201 -0.130 4.734 1.00 0.00 C ATOM 1299 CD2 LEU A 84 -0.739 -0.420 5.008 1.00 0.00 C ATOM 0 H LEU A 84 -1.865 -1.508 0.220 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.831 -0.850 2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.645 -1.857 2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.831 -0.514 2.211 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.731 1.062 3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.208 0.469 5.644 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.992 0.214 4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.370 -1.177 4.988 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.814 0.160 5.928 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.852 -1.480 5.237 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.235 -0.250 4.550 1.00 0.00 H new ATOM 1311 N MET A 85 -4.190 1.400 1.434 1.00 0.00 N ATOM 1312 CA MET A 85 -4.461 2.729 0.907 1.00 0.00 C ATOM 1313 C MET A 85 -3.935 3.723 1.941 1.00 0.00 C ATOM 1314 O MET A 85 -4.351 3.664 3.099 1.00 0.00 O ATOM 1315 CB MET A 85 -5.961 2.894 0.605 1.00 0.00 C ATOM 1316 CG MET A 85 -6.533 1.660 -0.117 1.00 0.00 C ATOM 1317 SD MET A 85 -8.032 1.927 -1.094 1.00 0.00 S ATOM 1318 CE MET A 85 -7.286 2.562 -2.622 1.00 0.00 C ATOM 0 H MET A 85 -4.953 1.004 1.983 1.00 0.00 H new ATOM 0 HA MET A 85 -3.959 2.905 -0.045 1.00 0.00 H new ATOM 0 HB2 MET A 85 -6.504 3.056 1.536 1.00 0.00 H new ATOM 0 HB3 MET A 85 -6.113 3.780 -0.011 1.00 0.00 H new ATOM 0 HG2 MET A 85 -5.762 1.261 -0.776 1.00 0.00 H new ATOM 0 HG3 MET A 85 -6.743 0.894 0.629 1.00 0.00 H new ATOM 0 HE1 MET A 85 -8.071 2.783 -3.346 1.00 0.00 H new ATOM 0 HE2 MET A 85 -6.728 3.472 -2.403 1.00 0.00 H new ATOM 0 HE3 MET A 85 -6.611 1.813 -3.036 1.00 0.00 H new ATOM 1328 N VAL A 86 -2.992 4.580 1.565 1.00 0.00 N ATOM 1329 CA VAL A 86 -2.252 5.478 2.439 1.00 0.00 C ATOM 1330 C VAL A 86 -2.328 6.856 1.797 1.00 0.00 C ATOM 1331 O VAL A 86 -1.706 7.089 0.766 1.00 0.00 O ATOM 1332 CB VAL A 86 -0.802 4.981 2.611 1.00 0.00 C ATOM 1333 CG1 VAL A 86 0.001 5.930 3.504 1.00 0.00 C ATOM 1334 CG2 VAL A 86 -0.749 3.578 3.239 1.00 0.00 C ATOM 0 H VAL A 86 -2.709 4.670 0.589 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.673 5.515 3.444 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.369 4.947 1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.020 5.556 3.609 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.023 6.922 3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.467 5.988 4.487 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.290 3.265 3.343 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.221 3.601 4.221 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.278 2.872 2.599 1.00 0.00 H new ATOM 1344 N THR A 87 -3.143 7.751 2.349 1.00 0.00 N ATOM 1345 CA THR A 87 -3.485 8.992 1.680 1.00 0.00 C ATOM 1346 C THR A 87 -3.685 10.122 2.693 1.00 0.00 C ATOM 1347 O THR A 87 -3.646 9.919 3.911 1.00 0.00 O ATOM 1348 CB THR A 87 -4.689 8.722 0.753 1.00 0.00 C ATOM 1349 OG1 THR A 87 -4.942 9.838 -0.068 1.00 0.00 O ATOM 1350 CG2 THR A 87 -5.963 8.332 1.507 1.00 0.00 C ATOM 0 H THR A 87 -3.579 7.634 3.264 1.00 0.00 H new ATOM 0 HA THR A 87 -2.669 9.345 1.049 1.00 0.00 H new ATOM 0 HB THR A 87 -4.410 7.865 0.140 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.166 10.004 -0.643 1.00 0.00 H new ATOM 0 HG21 THR A 87 -6.769 8.157 0.794 1.00 0.00 H new ATOM 0 HG22 THR A 87 -5.782 7.423 2.081 1.00 0.00 H new ATOM 0 HG23 THR A 87 -6.246 9.138 2.184 1.00 0.00 H new ATOM 1358 N ALA A 88 -3.876 11.342 2.194 1.00 0.00 N ATOM 1359 CA ALA A 88 -4.171 12.505 3.012 1.00 0.00 C ATOM 1360 C ALA A 88 -5.674 12.752 3.140 1.00 0.00 C ATOM 1361 O ALA A 88 -6.081 13.473 4.057 1.00 0.00 O ATOM 1362 CB ALA A 88 -3.470 13.722 2.401 1.00 0.00 C ATOM 0 H ALA A 88 -3.828 11.548 1.196 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.800 12.327 4.021 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.682 14.605 3.004 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.394 13.548 2.377 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.834 13.880 1.386 1.00 0.00 H new ATOM 1368 N GLU A 89 -6.496 12.207 2.243 1.00 0.00 N ATOM 1369 CA GLU A 89 -7.935 12.431 2.250 1.00 0.00 C ATOM 1370 C GLU A 89 -8.617 11.368 3.102 1.00 0.00 C ATOM 1371 O GLU A 89 -8.245 10.198 3.048 1.00 0.00 O ATOM 1372 CB GLU A 89 -8.490 12.409 0.820 1.00 0.00 C ATOM 1373 CG GLU A 89 -7.882 13.551 -0.006 1.00 0.00 C ATOM 1374 CD GLU A 89 -8.564 13.785 -1.355 1.00 0.00 C ATOM 1375 OE1 GLU A 89 -9.714 13.347 -1.582 1.00 0.00 O ATOM 1376 OE2 GLU A 89 -7.953 14.487 -2.193 1.00 0.00 O ATOM 0 H GLU A 89 -6.178 11.596 1.490 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.138 13.413 2.678 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.265 11.452 0.350 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.575 12.506 0.843 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.931 14.471 0.577 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.827 13.338 -0.178 1.00 0.00 H new ATOM 1383 N ALA A 90 -9.621 11.766 3.882 1.00 0.00 N ATOM 1384 CA ALA A 90 -10.547 10.816 4.475 1.00 0.00 C ATOM 1385 C ALA A 90 -11.548 10.419 3.400 1.00 0.00 C ATOM 1386 O ALA A 90 -11.585 9.249 3.048 1.00 0.00 O ATOM 1387 CB ALA A 90 -11.192 11.379 5.743 1.00 0.00 C ATOM 0 H ALA A 90 -9.810 12.741 4.115 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.026 9.920 4.812 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.879 10.642 6.160 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.417 11.608 6.475 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.741 12.289 5.499 1.00 0.00 H new ATOM 1393 N LYS A 91 -12.298 11.386 2.848 1.00 0.00 N ATOM 1394 CA LYS A 91 -13.217 11.218 1.721 1.00 0.00 C ATOM 1395 C LYS A 91 -14.069 9.970 1.938 1.00 0.00 C ATOM 1396 O LYS A 91 -13.777 8.893 1.422 1.00 0.00 O ATOM 1397 CB LYS A 91 -12.389 11.241 0.428 1.00 0.00 C ATOM 1398 CG LYS A 91 -13.186 11.145 -0.876 1.00 0.00 C ATOM 1399 CD LYS A 91 -14.111 12.319 -1.194 1.00 0.00 C ATOM 1400 CE LYS A 91 -14.301 12.338 -2.716 1.00 0.00 C ATOM 1401 NZ LYS A 91 -15.168 13.439 -3.168 1.00 0.00 N ATOM 0 H LYS A 91 -12.276 12.346 3.193 1.00 0.00 H new ATOM 0 HA LYS A 91 -13.937 12.032 1.638 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -11.806 12.162 0.409 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -11.679 10.415 0.459 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -12.481 11.032 -1.700 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -13.786 10.236 -0.843 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -15.069 12.204 -0.687 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -13.677 13.257 -0.847 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.327 12.427 -3.198 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -14.730 11.389 -3.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -15.262 13.404 -4.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -16.107 13.343 -2.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -14.748 14.349 -2.889 1.00 0.00 H new ATOM 1415 N LYS A 92 -15.125 10.088 2.747 1.00 0.00 N ATOM 1416 CA LYS A 92 -15.823 8.899 3.233 1.00 0.00 C ATOM 1417 C LYS A 92 -16.289 7.981 2.103 1.00 0.00 C ATOM 1418 O LYS A 92 -16.209 6.774 2.288 1.00 0.00 O ATOM 1419 CB LYS A 92 -16.975 9.255 4.182 1.00 0.00 C ATOM 1420 CG LYS A 92 -16.427 9.632 5.566 1.00 0.00 C ATOM 1421 CD LYS A 92 -17.526 9.715 6.631 1.00 0.00 C ATOM 1422 CE LYS A 92 -18.447 10.928 6.483 1.00 0.00 C ATOM 1423 NZ LYS A 92 -17.784 12.170 6.929 1.00 0.00 N ATOM 0 H LYS A 92 -15.508 10.975 3.073 1.00 0.00 H new ATOM 0 HA LYS A 92 -15.089 8.334 3.808 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -17.550 10.086 3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -17.657 8.409 4.271 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -15.684 8.895 5.872 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -15.915 10.592 5.501 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -18.128 8.807 6.588 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -17.061 9.743 7.616 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -18.750 11.031 5.441 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -19.355 10.770 7.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -18.436 12.972 6.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -17.517 12.081 7.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -16.931 12.333 6.356 1.00 0.00 H new ATOM 1437 N GLU A 93 -16.704 8.488 0.938 1.00 0.00 N ATOM 1438 CA GLU A 93 -17.038 7.628 -0.200 1.00 0.00 C ATOM 1439 C GLU A 93 -15.837 6.869 -0.759 1.00 0.00 C ATOM 1440 O GLU A 93 -16.036 5.751 -1.226 1.00 0.00 O ATOM 1441 CB GLU A 93 -17.736 8.422 -1.305 1.00 0.00 C ATOM 1442 CG GLU A 93 -19.200 8.706 -0.929 1.00 0.00 C ATOM 1443 CD GLU A 93 -20.108 8.612 -2.152 1.00 0.00 C ATOM 1444 OE1 GLU A 93 -20.151 9.566 -2.956 1.00 0.00 O ATOM 1445 OE2 GLU A 93 -20.761 7.557 -2.336 1.00 0.00 O ATOM 0 H GLU A 93 -16.816 9.486 0.759 1.00 0.00 H new ATOM 0 HA GLU A 93 -17.727 6.876 0.185 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -17.210 9.362 -1.472 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -17.697 7.864 -2.240 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -19.529 7.994 -0.172 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.280 9.700 -0.488 1.00 0.00 H new ATOM 1452 N ASN A 94 -14.616 7.398 -0.677 1.00 0.00 N ATOM 1453 CA ASN A 94 -13.401 6.625 -0.933 1.00 0.00 C ATOM 1454 C ASN A 94 -13.254 5.545 0.132 1.00 0.00 C ATOM 1455 O ASN A 94 -12.900 4.418 -0.202 1.00 0.00 O ATOM 1456 CB ASN A 94 -12.106 7.456 -0.910 1.00 0.00 C ATOM 1457 CG ASN A 94 -11.920 8.429 -2.060 1.00 0.00 C ATOM 1458 OD1 ASN A 94 -12.802 8.618 -2.894 1.00 0.00 O ATOM 1459 ND2 ASN A 94 -10.780 9.099 -2.083 1.00 0.00 N ATOM 0 H ASN A 94 -14.442 8.373 -0.432 1.00 0.00 H new ATOM 0 HA ASN A 94 -13.522 6.219 -1.937 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -12.074 8.017 0.024 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -11.258 6.771 -0.899 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -10.613 9.797 -2.808 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -10.068 8.918 -1.376 1.00 0.00 H new ATOM 1466 N ILE A 95 -13.509 5.857 1.408 1.00 0.00 N ATOM 1467 CA ILE A 95 -13.382 4.869 2.485 1.00 0.00 C ATOM 1468 C ILE A 95 -14.386 3.733 2.261 1.00 0.00 C ATOM 1469 O ILE A 95 -13.979 2.567 2.260 1.00 0.00 O ATOM 1470 CB ILE A 95 -13.502 5.532 3.876 1.00 0.00 C ATOM 1471 CG1 ILE A 95 -12.152 6.199 4.210 1.00 0.00 C ATOM 1472 CG2 ILE A 95 -13.870 4.525 4.989 1.00 0.00 C ATOM 1473 CD1 ILE A 95 -12.266 7.291 5.277 1.00 0.00 C ATOM 0 H ILE A 95 -13.804 6.783 1.719 1.00 0.00 H new ATOM 0 HA ILE A 95 -12.385 4.429 2.461 1.00 0.00 H new ATOM 0 HB ILE A 95 -14.309 6.264 3.834 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.453 5.437 4.553 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.733 6.631 3.301 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -13.940 5.047 5.943 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -14.829 4.061 4.758 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -13.101 3.755 5.052 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -11.282 7.720 5.466 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -12.941 8.072 4.927 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -12.657 6.860 6.199 1.00 0.00 H new ATOM 1485 N ILE A 96 -15.679 4.028 2.066 1.00 0.00 N ATOM 1486 CA ILE A 96 -16.626 3.014 1.633 1.00 0.00 C ATOM 1487 C ILE A 96 -16.208 2.300 0.363 1.00 0.00 C ATOM 1488 O ILE A 96 -16.237 1.076 0.372 1.00 0.00 O ATOM 1489 CB ILE A 96 -18.075 3.517 1.633 1.00 0.00 C ATOM 1490 CG1 ILE A 96 -18.434 4.366 2.871 1.00 0.00 C ATOM 1491 CG2 ILE A 96 -19.101 2.424 1.344 1.00 0.00 C ATOM 1492 CD1 ILE A 96 -19.145 5.640 2.477 1.00 0.00 C ATOM 0 H ILE A 96 -16.082 4.955 2.202 1.00 0.00 H new ATOM 0 HA ILE A 96 -16.602 2.233 2.393 1.00 0.00 H new ATOM 0 HB ILE A 96 -18.130 4.200 0.785 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -19.068 3.786 3.541 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -17.526 4.610 3.423 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -20.103 2.852 1.360 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -18.906 1.993 0.362 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -19.027 1.646 2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -19.384 6.215 3.372 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -18.499 6.231 1.827 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -20.065 5.394 1.947 1.00 0.00 H new ATOM 1504 N ALA A 97 -15.777 3.001 -0.684 1.00 0.00 N ATOM 1505 CA ALA A 97 -15.357 2.357 -1.918 1.00 0.00 C ATOM 1506 C ALA A 97 -14.230 1.367 -1.646 1.00 0.00 C ATOM 1507 O ALA A 97 -14.276 0.253 -2.154 1.00 0.00 O ATOM 1508 CB ALA A 97 -14.958 3.398 -2.963 1.00 0.00 C ATOM 0 H ALA A 97 -15.711 4.019 -0.698 1.00 0.00 H new ATOM 0 HA ALA A 97 -16.198 1.795 -2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -14.647 2.894 -3.878 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -15.809 4.045 -3.176 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -14.133 3.999 -2.581 1.00 0.00 H new ATOM 1514 N ALA A 98 -13.258 1.720 -0.805 1.00 0.00 N ATOM 1515 CA ALA A 98 -12.181 0.835 -0.401 1.00 0.00 C ATOM 1516 C ALA A 98 -12.723 -0.366 0.373 1.00 0.00 C ATOM 1517 O ALA A 98 -12.337 -1.501 0.095 1.00 0.00 O ATOM 1518 CB ALA A 98 -11.184 1.603 0.470 1.00 0.00 C ATOM 0 H ALA A 98 -13.202 2.646 -0.382 1.00 0.00 H new ATOM 0 HA ALA A 98 -11.680 0.469 -1.297 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.376 0.937 0.772 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.773 2.438 -0.098 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.692 1.982 1.357 1.00 0.00 H new ATOM 1524 N ALA A 99 -13.588 -0.139 1.366 1.00 0.00 N ATOM 1525 CA ALA A 99 -14.131 -1.206 2.202 1.00 0.00 C ATOM 1526 C ALA A 99 -15.108 -2.111 1.435 1.00 0.00 C ATOM 1527 O ALA A 99 -15.322 -3.254 1.841 1.00 0.00 O ATOM 1528 CB ALA A 99 -14.817 -0.584 3.424 1.00 0.00 C ATOM 0 H ALA A 99 -13.930 0.791 1.610 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.305 -1.842 2.521 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -15.225 -1.375 4.054 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -14.090 -0.005 3.994 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -15.624 0.071 3.094 1.00 0.00 H new ATOM 1534 N GLN A 100 -15.700 -1.613 0.350 1.00 0.00 N ATOM 1535 CA GLN A 100 -16.515 -2.339 -0.612 1.00 0.00 C ATOM 1536 C GLN A 100 -15.593 -3.143 -1.531 1.00 0.00 C ATOM 1537 O GLN A 100 -15.736 -4.360 -1.620 1.00 0.00 O ATOM 1538 CB GLN A 100 -17.389 -1.333 -1.392 1.00 0.00 C ATOM 1539 CG GLN A 100 -18.648 -0.881 -0.627 1.00 0.00 C ATOM 1540 CD GLN A 100 -19.671 -1.999 -0.418 1.00 0.00 C ATOM 1541 OE1 GLN A 100 -19.692 -2.996 -1.137 1.00 0.00 O ATOM 1542 NE2 GLN A 100 -20.550 -1.872 0.558 1.00 0.00 N ATOM 0 H GLN A 100 -15.615 -0.626 0.108 1.00 0.00 H new ATOM 0 HA GLN A 100 -17.184 -3.040 -0.113 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -16.789 -0.456 -1.635 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -17.692 -1.785 -2.337 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -18.351 -0.486 0.344 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -19.121 -0.064 -1.172 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -20.533 -1.045 1.155 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -21.246 -2.601 0.715 1.00 0.00 H new ATOM 1551 N ALA A 101 -14.608 -2.496 -2.165 1.00 0.00 N ATOM 1552 CA ALA A 101 -13.617 -3.119 -3.030 1.00 0.00 C ATOM 1553 C ALA A 101 -12.790 -4.185 -2.307 1.00 0.00 C ATOM 1554 O ALA A 101 -12.295 -5.108 -2.953 1.00 0.00 O ATOM 1555 CB ALA A 101 -12.682 -2.034 -3.567 1.00 0.00 C ATOM 0 H ALA A 101 -14.480 -1.487 -2.082 1.00 0.00 H new ATOM 0 HA ALA A 101 -14.150 -3.618 -3.840 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.934 -2.488 -4.217 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -13.260 -1.303 -4.133 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -12.185 -1.537 -2.734 1.00 0.00 H new ATOM 1561 N GLY A 102 -12.637 -4.068 -0.988 1.00 0.00 N ATOM 1562 CA GLY A 102 -12.001 -5.058 -0.140 1.00 0.00 C ATOM 1563 C GLY A 102 -10.555 -4.719 0.202 1.00 0.00 C ATOM 1564 O GLY A 102 -9.743 -5.641 0.329 1.00 0.00 O ATOM 0 H GLY A 102 -12.965 -3.253 -0.470 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -12.572 -5.156 0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -12.032 -6.027 -0.638 1.00 0.00 H new ATOM 1568 N ALA A 103 -10.217 -3.434 0.359 1.00 0.00 N ATOM 1569 CA ALA A 103 -8.850 -3.003 0.644 1.00 0.00 C ATOM 1570 C ALA A 103 -8.364 -3.598 1.962 1.00 0.00 C ATOM 1571 O ALA A 103 -9.169 -3.834 2.871 1.00 0.00 O ATOM 1572 CB ALA A 103 -8.750 -1.474 0.682 1.00 0.00 C ATOM 0 H ALA A 103 -10.885 -2.667 0.291 1.00 0.00 H new ATOM 0 HA ALA A 103 -8.210 -3.366 -0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.722 -1.182 0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.050 -1.066 -0.283 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.407 -1.086 1.460 1.00 0.00 H new ATOM 1578 N SER A 104 -7.052 -3.805 2.095 1.00 0.00 N ATOM 1579 CA SER A 104 -6.475 -4.409 3.290 1.00 0.00 C ATOM 1580 C SER A 104 -6.396 -3.417 4.457 1.00 0.00 C ATOM 1581 O SER A 104 -6.229 -3.827 5.607 1.00 0.00 O ATOM 1582 CB SER A 104 -5.124 -5.034 2.950 1.00 0.00 C ATOM 1583 OG SER A 104 -4.099 -4.079 2.775 1.00 0.00 O ATOM 0 H SER A 104 -6.367 -3.559 1.381 1.00 0.00 H new ATOM 0 HA SER A 104 -7.135 -5.205 3.634 1.00 0.00 H new ATOM 0 HB2 SER A 104 -4.839 -5.722 3.745 1.00 0.00 H new ATOM 0 HB3 SER A 104 -5.222 -5.623 2.038 1.00 0.00 H new ATOM 0 HG SER A 104 -4.467 -3.279 2.345 1.00 0.00 H new ATOM 1589 N GLY A 105 -6.564 -2.121 4.186 1.00 0.00 N ATOM 1590 CA GLY A 105 -6.675 -1.085 5.190 1.00 0.00 C ATOM 1591 C GLY A 105 -6.656 0.289 4.539 1.00 0.00 C ATOM 1592 O GLY A 105 -6.382 0.420 3.341 1.00 0.00 O ATOM 0 H GLY A 105 -6.627 -1.763 3.233 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.599 -1.214 5.754 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.853 -1.169 5.901 1.00 0.00 H new ATOM 1596 N TYR A 106 -6.927 1.297 5.365 1.00 0.00 N ATOM 1597 CA TYR A 106 -6.976 2.698 4.990 1.00 0.00 C ATOM 1598 C TYR A 106 -6.201 3.464 6.058 1.00 0.00 C ATOM 1599 O TYR A 106 -6.469 3.295 7.256 1.00 0.00 O ATOM 1600 CB TYR A 106 -8.441 3.162 4.891 1.00 0.00 C ATOM 1601 CG TYR A 106 -8.690 4.189 3.806 1.00 0.00 C ATOM 1602 CD1 TYR A 106 -8.549 5.568 4.061 1.00 0.00 C ATOM 1603 CD2 TYR A 106 -9.075 3.752 2.526 1.00 0.00 C ATOM 1604 CE1 TYR A 106 -8.782 6.507 3.036 1.00 0.00 C ATOM 1605 CE2 TYR A 106 -9.307 4.685 1.503 1.00 0.00 C ATOM 1606 CZ TYR A 106 -9.143 6.066 1.744 1.00 0.00 C ATOM 1607 OH TYR A 106 -9.319 6.955 0.730 1.00 0.00 O ATOM 0 H TYR A 106 -7.126 1.148 6.354 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.528 2.875 4.012 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -9.075 2.294 4.708 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.744 3.581 5.850 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.261 5.906 5.045 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.192 2.697 2.330 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -8.684 7.563 3.239 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.613 4.344 0.525 1.00 0.00 H new ATOM 0 HH TYR A 106 -9.227 6.493 -0.130 1.00 0.00 H new ATOM 1617 N VAL A 107 -5.245 4.286 5.651 1.00 0.00 N ATOM 1618 CA VAL A 107 -4.455 5.160 6.496 1.00 0.00 C ATOM 1619 C VAL A 107 -4.669 6.558 5.939 1.00 0.00 C ATOM 1620 O VAL A 107 -4.015 6.943 4.972 1.00 0.00 O ATOM 1621 CB VAL A 107 -2.971 4.739 6.505 1.00 0.00 C ATOM 1622 CG1 VAL A 107 -2.154 5.682 7.387 1.00 0.00 C ATOM 1623 CG2 VAL A 107 -2.753 3.331 7.055 1.00 0.00 C ATOM 0 H VAL A 107 -4.988 4.363 4.667 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.761 5.111 7.541 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.653 4.775 5.463 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.109 5.371 7.382 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.232 6.699 7.002 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.538 5.650 8.407 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.689 3.093 7.035 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.117 3.281 8.081 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.297 2.613 6.442 1.00 0.00 H new ATOM 1633 N VAL A 108 -5.598 7.312 6.522 1.00 0.00 N ATOM 1634 CA VAL A 108 -5.574 8.754 6.342 1.00 0.00 C ATOM 1635 C VAL A 108 -4.405 9.281 7.179 1.00 0.00 C ATOM 1636 O VAL A 108 -4.087 8.725 8.242 1.00 0.00 O ATOM 1637 CB VAL A 108 -6.917 9.420 6.726 1.00 0.00 C ATOM 1638 CG1 VAL A 108 -6.976 10.828 6.119 1.00 0.00 C ATOM 1639 CG2 VAL A 108 -8.130 8.626 6.231 1.00 0.00 C ATOM 0 H VAL A 108 -6.355 6.958 7.107 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.435 9.003 5.290 1.00 0.00 H new ATOM 0 HB VAL A 108 -6.959 9.455 7.815 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -7.921 11.301 6.387 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.149 11.425 6.504 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.900 10.760 5.034 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -9.046 9.138 6.528 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -8.094 8.547 5.144 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.114 7.628 6.668 1.00 0.00 H new ATOM 1649 N LYS A 109 -3.783 10.374 6.738 1.00 0.00 N ATOM 1650 CA LYS A 109 -2.954 11.210 7.600 1.00 0.00 C ATOM 1651 C LYS A 109 -3.755 11.677 8.827 1.00 0.00 C ATOM 1652 O LYS A 109 -4.989 11.689 8.791 1.00 0.00 O ATOM 1653 CB LYS A 109 -2.431 12.423 6.812 1.00 0.00 C ATOM 1654 CG LYS A 109 -1.290 12.044 5.854 1.00 0.00 C ATOM 1655 CD LYS A 109 -0.466 13.262 5.419 1.00 0.00 C ATOM 1656 CE LYS A 109 0.395 13.766 6.588 1.00 0.00 C ATOM 1657 NZ LYS A 109 1.371 14.794 6.186 1.00 0.00 N ATOM 0 H LYS A 109 -3.841 10.703 5.774 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.105 10.621 7.946 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -3.249 12.865 6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -2.080 13.184 7.509 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.636 11.320 6.340 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.706 11.556 4.973 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.172 12.996 4.576 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -1.130 14.056 5.078 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -0.256 14.174 7.361 1.00 0.00 H new ATOM 0 HE3 LYS A 109 0.926 12.923 7.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 1.921 15.094 7.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 2.013 14.401 5.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 0.868 15.614 5.789 1.00 0.00 H new ATOM 1671 N PRO A 110 -3.083 12.157 9.885 1.00 0.00 N ATOM 1672 CA PRO A 110 -1.653 12.031 10.147 1.00 0.00 C ATOM 1673 C PRO A 110 -1.353 10.586 10.560 1.00 0.00 C ATOM 1674 O PRO A 110 -2.107 9.999 11.339 1.00 0.00 O ATOM 1675 CB PRO A 110 -1.386 13.039 11.269 1.00 0.00 C ATOM 1676 CG PRO A 110 -2.694 13.066 12.057 1.00 0.00 C ATOM 1677 CD PRO A 110 -3.760 12.778 11.009 1.00 0.00 C ATOM 0 HA PRO A 110 -1.016 12.238 9.287 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -0.549 12.728 11.894 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -1.139 14.023 10.871 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -2.699 12.316 12.848 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.853 14.033 12.533 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -4.529 12.118 11.410 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.258 13.697 10.701 1.00 0.00 H new ATOM 1685 N PHE A 111 -0.270 9.998 10.044 1.00 0.00 N ATOM 1686 CA PHE A 111 0.074 8.601 10.285 1.00 0.00 C ATOM 1687 C PHE A 111 1.554 8.466 10.638 1.00 0.00 C ATOM 1688 O PHE A 111 2.375 9.299 10.247 1.00 0.00 O ATOM 1689 CB PHE A 111 -0.335 7.739 9.081 1.00 0.00 C ATOM 1690 CG PHE A 111 0.391 7.972 7.769 1.00 0.00 C ATOM 1691 CD1 PHE A 111 1.671 7.421 7.572 1.00 0.00 C ATOM 1692 CD2 PHE A 111 -0.262 8.600 6.692 1.00 0.00 C ATOM 1693 CE1 PHE A 111 2.294 7.511 6.319 1.00 0.00 C ATOM 1694 CE2 PHE A 111 0.366 8.700 5.440 1.00 0.00 C ATOM 1695 CZ PHE A 111 1.645 8.151 5.253 1.00 0.00 C ATOM 0 H PHE A 111 0.395 10.485 9.443 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.485 8.232 11.145 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -0.202 6.693 9.357 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.400 7.890 8.907 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.175 6.927 8.389 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -1.253 9.008 6.829 1.00 0.00 H new ATOM 0 HE1 PHE A 111 3.276 7.086 6.174 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.134 9.198 4.622 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.128 8.222 4.290 1.00 0.00 H new ATOM 1705 N THR A 112 1.892 7.404 11.365 1.00 0.00 N ATOM 1706 CA THR A 112 3.228 7.089 11.861 1.00 0.00 C ATOM 1707 C THR A 112 3.428 5.572 11.852 1.00 0.00 C ATOM 1708 O THR A 112 2.495 4.831 11.529 1.00 0.00 O ATOM 1709 CB THR A 112 3.408 7.664 13.278 1.00 0.00 C ATOM 1710 OG1 THR A 112 2.294 7.385 14.104 1.00 0.00 O ATOM 1711 CG2 THR A 112 3.648 9.167 13.273 1.00 0.00 C ATOM 0 H THR A 112 1.204 6.703 11.638 1.00 0.00 H new ATOM 0 HA THR A 112 3.980 7.542 11.214 1.00 0.00 H new ATOM 0 HB THR A 112 4.293 7.170 13.680 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.445 7.764 14.995 1.00 0.00 H new ATOM 0 HG21 THR A 112 3.768 9.520 14.297 1.00 0.00 H new ATOM 0 HG22 THR A 112 4.551 9.389 12.704 1.00 0.00 H new ATOM 0 HG23 THR A 112 2.797 9.670 12.814 1.00 0.00 H new ATOM 1719 N ALA A 113 4.624 5.097 12.212 1.00 0.00 N ATOM 1720 CA ALA A 113 4.920 3.674 12.283 1.00 0.00 C ATOM 1721 C ALA A 113 3.986 2.994 13.284 1.00 0.00 C ATOM 1722 O ALA A 113 3.600 1.859 13.040 1.00 0.00 O ATOM 1723 CB ALA A 113 6.398 3.420 12.606 1.00 0.00 C ATOM 0 H ALA A 113 5.412 5.695 12.462 1.00 0.00 H new ATOM 0 HA ALA A 113 4.741 3.233 11.302 1.00 0.00 H new ATOM 0 HB1 ALA A 113 6.581 2.346 12.651 1.00 0.00 H new ATOM 0 HB2 ALA A 113 7.021 3.862 11.829 1.00 0.00 H new ATOM 0 HB3 ALA A 113 6.643 3.870 13.568 1.00 0.00 H new ATOM 1729 N ALA A 114 3.531 3.707 14.323 1.00 0.00 N ATOM 1730 CA ALA A 114 2.562 3.214 15.290 1.00 0.00 C ATOM 1731 C ALA A 114 1.246 2.768 14.629 1.00 0.00 C ATOM 1732 O ALA A 114 0.704 1.726 15.007 1.00 0.00 O ATOM 1733 CB ALA A 114 2.314 4.297 16.344 1.00 0.00 C ATOM 0 H ALA A 114 3.837 4.661 14.512 1.00 0.00 H new ATOM 0 HA ALA A 114 2.975 2.325 15.767 1.00 0.00 H new ATOM 0 HB1 ALA A 114 1.589 3.936 17.073 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.250 4.533 16.850 1.00 0.00 H new ATOM 0 HB3 ALA A 114 1.926 5.194 15.860 1.00 0.00 H new ATOM 1739 N THR A 115 0.729 3.515 13.643 1.00 0.00 N ATOM 1740 CA THR A 115 -0.472 3.093 12.921 1.00 0.00 C ATOM 1741 C THR A 115 -0.100 2.124 11.789 1.00 0.00 C ATOM 1742 O THR A 115 -0.888 1.232 11.482 1.00 0.00 O ATOM 1743 CB THR A 115 -1.319 4.303 12.473 1.00 0.00 C ATOM 1744 OG1 THR A 115 -2.693 3.980 12.425 1.00 0.00 O ATOM 1745 CG2 THR A 115 -0.970 4.892 11.109 1.00 0.00 C ATOM 0 H THR A 115 1.121 4.404 13.332 1.00 0.00 H new ATOM 0 HA THR A 115 -1.122 2.535 13.596 1.00 0.00 H new ATOM 0 HB THR A 115 -1.086 5.050 13.232 1.00 0.00 H new ATOM 0 HG1 THR A 115 -3.204 4.766 12.140 1.00 0.00 H new ATOM 0 HG21 THR A 115 -1.628 5.735 10.898 1.00 0.00 H new ATOM 0 HG22 THR A 115 0.066 5.232 11.114 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.099 4.130 10.340 1.00 0.00 H new ATOM 1753 N LEU A 116 1.101 2.242 11.201 1.00 0.00 N ATOM 1754 CA LEU A 116 1.602 1.305 10.196 1.00 0.00 C ATOM 1755 C LEU A 116 1.549 -0.108 10.791 1.00 0.00 C ATOM 1756 O LEU A 116 0.882 -0.978 10.235 1.00 0.00 O ATOM 1757 CB LEU A 116 3.022 1.716 9.745 1.00 0.00 C ATOM 1758 CG LEU A 116 3.573 1.137 8.426 1.00 0.00 C ATOM 1759 CD1 LEU A 116 3.442 -0.379 8.339 1.00 0.00 C ATOM 1760 CD2 LEU A 116 2.953 1.772 7.179 1.00 0.00 C ATOM 0 H LEU A 116 1.752 2.997 11.415 1.00 0.00 H new ATOM 0 HA LEU A 116 0.982 1.322 9.300 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.042 2.803 9.664 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.714 1.443 10.541 1.00 0.00 H new ATOM 0 HG LEU A 116 4.632 1.392 8.447 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.847 -0.725 7.388 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.994 -0.840 9.158 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.391 -0.658 8.408 1.00 0.00 H new ATOM 0 HD21 LEU A 116 3.385 1.319 6.287 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.876 1.607 7.184 1.00 0.00 H new ATOM 0 HD23 LEU A 116 3.156 2.843 7.177 1.00 0.00 H new ATOM 1772 N GLU A 117 2.188 -0.330 11.945 1.00 0.00 N ATOM 1773 CA GLU A 117 2.228 -1.633 12.598 1.00 0.00 C ATOM 1774 C GLU A 117 0.839 -2.104 13.033 1.00 0.00 C ATOM 1775 O GLU A 117 0.583 -3.304 13.068 1.00 0.00 O ATOM 1776 CB GLU A 117 3.231 -1.653 13.764 1.00 0.00 C ATOM 1777 CG GLU A 117 2.841 -0.802 14.981 1.00 0.00 C ATOM 1778 CD GLU A 117 3.770 -1.039 16.169 1.00 0.00 C ATOM 1779 OE1 GLU A 117 4.823 -0.373 16.281 1.00 0.00 O ATOM 1780 OE2 GLU A 117 3.423 -1.904 17.015 1.00 0.00 O ATOM 0 H GLU A 117 2.693 0.397 12.451 1.00 0.00 H new ATOM 0 HA GLU A 117 2.582 -2.348 11.856 1.00 0.00 H new ATOM 0 HB2 GLU A 117 3.363 -2.685 14.090 1.00 0.00 H new ATOM 0 HB3 GLU A 117 4.198 -1.309 13.396 1.00 0.00 H new ATOM 0 HG2 GLU A 117 2.865 0.253 14.708 1.00 0.00 H new ATOM 0 HG3 GLU A 117 1.816 -1.033 15.271 1.00 0.00 H new ATOM 1787 N GLU A 118 -0.086 -1.184 13.307 1.00 0.00 N ATOM 1788 CA GLU A 118 -1.472 -1.533 13.570 1.00 0.00 C ATOM 1789 C GLU A 118 -2.120 -2.120 12.310 1.00 0.00 C ATOM 1790 O GLU A 118 -2.811 -3.139 12.398 1.00 0.00 O ATOM 1791 CB GLU A 118 -2.205 -0.313 14.142 1.00 0.00 C ATOM 1792 CG GLU A 118 -3.706 -0.552 14.283 1.00 0.00 C ATOM 1793 CD GLU A 118 -4.360 0.510 15.158 1.00 0.00 C ATOM 1794 OE1 GLU A 118 -4.183 0.458 16.392 1.00 0.00 O ATOM 1795 OE2 GLU A 118 -5.166 1.319 14.642 1.00 0.00 O ATOM 0 H GLU A 118 0.108 -0.184 13.352 1.00 0.00 H new ATOM 0 HA GLU A 118 -1.536 -2.316 14.325 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -1.786 -0.064 15.117 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -2.036 0.547 13.494 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -4.170 -0.549 13.297 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -3.880 -1.538 14.714 1.00 0.00 H new ATOM 1802 N LYS A 119 -1.898 -1.529 11.127 1.00 0.00 N ATOM 1803 CA LYS A 119 -2.379 -2.155 9.896 1.00 0.00 C ATOM 1804 C LYS A 119 -1.636 -3.471 9.628 1.00 0.00 C ATOM 1805 O LYS A 119 -2.260 -4.393 9.108 1.00 0.00 O ATOM 1806 CB LYS A 119 -2.241 -1.283 8.649 1.00 0.00 C ATOM 1807 CG LYS A 119 -2.628 0.199 8.690 1.00 0.00 C ATOM 1808 CD LYS A 119 -4.133 0.473 8.774 1.00 0.00 C ATOM 1809 CE LYS A 119 -4.597 0.680 10.216 1.00 0.00 C ATOM 1810 NZ LYS A 119 -5.874 1.423 10.243 1.00 0.00 N ATOM 0 H LYS A 119 -1.404 -0.646 11.001 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.442 -2.321 10.071 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -1.199 -1.335 8.334 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -2.835 -1.749 7.863 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -2.141 0.663 9.548 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.234 0.687 7.798 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.374 1.358 8.185 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.679 -0.361 8.334 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.720 -0.285 10.708 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.838 1.228 10.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -6.177 1.556 11.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.745 2.351 9.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -6.600 0.885 9.727 1.00 0.00 H new ATOM 1824 N LEU A 120 -0.341 -3.578 9.957 1.00 0.00 N ATOM 1825 CA LEU A 120 0.410 -4.823 9.780 1.00 0.00 C ATOM 1826 C LEU A 120 -0.237 -5.918 10.609 1.00 0.00 C ATOM 1827 O LEU A 120 -0.581 -6.964 10.069 1.00 0.00 O ATOM 1828 CB LEU A 120 1.894 -4.724 10.170 1.00 0.00 C ATOM 1829 CG LEU A 120 2.763 -3.802 9.306 1.00 0.00 C ATOM 1830 CD1 LEU A 120 4.188 -3.815 9.861 1.00 0.00 C ATOM 1831 CD2 LEU A 120 2.798 -4.230 7.837 1.00 0.00 C ATOM 0 H LEU A 120 0.208 -2.812 10.349 1.00 0.00 H new ATOM 0 HA LEU A 120 0.380 -5.047 8.714 1.00 0.00 H new ATOM 0 HB2 LEU A 120 1.954 -4.382 11.203 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.323 -5.726 10.140 1.00 0.00 H new ATOM 0 HG LEU A 120 2.327 -2.804 9.344 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.820 -3.164 9.257 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.180 -3.460 10.891 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.581 -4.831 9.831 1.00 0.00 H new ATOM 0 HD21 LEU A 120 3.428 -3.542 7.273 1.00 0.00 H new ATOM 0 HD22 LEU A 120 3.204 -5.239 7.761 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.787 -4.214 7.429 1.00 0.00 H new ATOM 1843 N ASN A 121 -0.445 -5.687 11.907 1.00 0.00 N ATOM 1844 CA ASN A 121 -1.071 -6.669 12.783 1.00 0.00 C ATOM 1845 C ASN A 121 -2.477 -7.024 12.297 1.00 0.00 C ATOM 1846 O ASN A 121 -2.885 -8.188 12.387 1.00 0.00 O ATOM 1847 CB ASN A 121 -1.096 -6.147 14.221 1.00 0.00 C ATOM 1848 CG ASN A 121 -1.568 -7.236 15.177 1.00 0.00 C ATOM 1849 OD1 ASN A 121 -0.953 -8.294 15.265 1.00 0.00 O ATOM 1850 ND2 ASN A 121 -2.626 -7.009 15.927 1.00 0.00 N ATOM 0 H ASN A 121 -0.185 -4.819 12.374 1.00 0.00 H new ATOM 0 HA ASN A 121 -0.479 -7.584 12.759 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -0.100 -5.809 14.509 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -1.758 -5.284 14.289 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -2.942 -7.717 16.590 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -3.129 -6.126 15.845 1.00 0.00 H new ATOM 1857 N LYS A 122 -3.195 -6.044 11.722 1.00 0.00 N ATOM 1858 CA LYS A 122 -4.439 -6.263 10.985 1.00 0.00 C ATOM 1859 C LYS A 122 -4.246 -7.384 9.980 1.00 0.00 C ATOM 1860 O LYS A 122 -4.834 -8.439 10.145 1.00 0.00 O ATOM 1861 CB LYS A 122 -4.931 -4.976 10.286 1.00 0.00 C ATOM 1862 CG LYS A 122 -6.410 -4.680 10.513 1.00 0.00 C ATOM 1863 CD LYS A 122 -6.641 -4.075 11.895 1.00 0.00 C ATOM 1864 CE LYS A 122 -6.067 -2.656 12.025 1.00 0.00 C ATOM 1865 NZ LYS A 122 -6.554 -2.034 13.281 1.00 0.00 N ATOM 0 H LYS A 122 -2.918 -5.063 11.760 1.00 0.00 H new ATOM 0 HA LYS A 122 -5.211 -6.549 11.700 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -4.342 -4.131 10.643 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -4.747 -5.062 9.215 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -6.769 -3.993 9.747 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -6.988 -5.599 10.413 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -7.711 -4.050 12.102 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -6.186 -4.717 12.649 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -4.978 -2.692 12.024 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.367 -2.052 11.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -6.292 -1.028 13.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -7.589 -2.123 13.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -6.123 -2.515 14.096 1.00 0.00 H new ATOM 1879 N ILE A 123 -3.467 -7.170 8.928 1.00 0.00 N ATOM 1880 CA ILE A 123 -3.406 -8.079 7.787 1.00 0.00 C ATOM 1881 C ILE A 123 -2.637 -9.364 8.104 1.00 0.00 C ATOM 1882 O ILE A 123 -2.923 -10.405 7.512 1.00 0.00 O ATOM 1883 CB ILE A 123 -2.837 -7.341 6.562 1.00 0.00 C ATOM 1884 CG1 ILE A 123 -1.415 -6.817 6.836 1.00 0.00 C ATOM 1885 CG2 ILE A 123 -3.819 -6.224 6.175 1.00 0.00 C ATOM 1886 CD1 ILE A 123 -0.888 -5.800 5.837 1.00 0.00 C ATOM 0 H ILE A 123 -2.856 -6.358 8.840 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.421 -8.400 7.552 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.738 -8.026 5.720 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.397 -6.368 7.829 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -0.732 -7.666 6.858 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.435 -5.687 5.308 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.788 -6.660 5.933 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.931 -5.532 7.010 1.00 0.00 H new ATOM 0 HD11 ILE A 123 0.119 -5.497 6.123 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -0.865 -6.245 4.842 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.540 -4.927 5.828 1.00 0.00 H new ATOM 1898 N PHE A 124 -1.702 -9.315 9.049 1.00 0.00 N ATOM 1899 CA PHE A 124 -1.022 -10.490 9.559 1.00 0.00 C ATOM 1900 C PHE A 124 -2.078 -11.425 10.126 1.00 0.00 C ATOM 1901 O PHE A 124 -2.169 -12.558 9.673 1.00 0.00 O ATOM 1902 CB PHE A 124 0.005 -10.110 10.628 1.00 0.00 C ATOM 1903 CG PHE A 124 1.376 -9.638 10.155 1.00 0.00 C ATOM 1904 CD1 PHE A 124 1.554 -8.946 8.939 1.00 0.00 C ATOM 1905 CD2 PHE A 124 2.500 -9.878 10.971 1.00 0.00 C ATOM 1906 CE1 PHE A 124 2.828 -8.504 8.544 1.00 0.00 C ATOM 1907 CE2 PHE A 124 3.772 -9.417 10.587 1.00 0.00 C ATOM 1908 CZ PHE A 124 3.938 -8.736 9.370 1.00 0.00 C ATOM 0 H PHE A 124 -1.395 -8.445 9.484 1.00 0.00 H new ATOM 0 HA PHE A 124 -0.473 -10.984 8.757 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -0.428 -9.322 11.244 1.00 0.00 H new ATOM 0 HB3 PHE A 124 0.152 -10.975 11.275 1.00 0.00 H new ATOM 0 HD1 PHE A 124 0.702 -8.754 8.304 1.00 0.00 H new ATOM 0 HD2 PHE A 124 2.384 -10.420 11.898 1.00 0.00 H new ATOM 0 HE1 PHE A 124 2.953 -7.986 7.605 1.00 0.00 H new ATOM 0 HE2 PHE A 124 4.623 -9.587 11.230 1.00 0.00 H new ATOM 0 HZ PHE A 124 4.917 -8.392 9.071 1.00 0.00 H new ATOM 1918 N GLU A 125 -2.895 -10.969 11.081 1.00 0.00 N ATOM 1919 CA GLU A 125 -3.825 -11.896 11.716 1.00 0.00 C ATOM 1920 C GLU A 125 -5.085 -12.102 10.866 1.00 0.00 C ATOM 1921 O GLU A 125 -5.588 -13.223 10.773 1.00 0.00 O ATOM 1922 CB GLU A 125 -4.117 -11.454 13.156 1.00 0.00 C ATOM 1923 CG GLU A 125 -2.807 -11.390 13.965 1.00 0.00 C ATOM 1924 CD GLU A 125 -3.023 -11.740 15.432 1.00 0.00 C ATOM 1925 OE1 GLU A 125 -3.665 -10.954 16.167 1.00 0.00 O ATOM 1926 OE2 GLU A 125 -2.615 -12.849 15.842 1.00 0.00 O ATOM 0 H GLU A 125 -2.931 -10.007 11.417 1.00 0.00 H new ATOM 0 HA GLU A 125 -3.359 -12.879 11.780 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -4.601 -10.477 13.154 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -4.810 -12.152 13.626 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -2.080 -12.077 13.532 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -2.383 -10.388 13.890 1.00 0.00 H new ATOM 1933 N LYS A 126 -5.600 -11.055 10.213 1.00 0.00 N ATOM 1934 CA LYS A 126 -6.789 -11.110 9.361 1.00 0.00 C ATOM 1935 C LYS A 126 -6.479 -11.947 8.124 1.00 0.00 C ATOM 1936 O LYS A 126 -6.981 -13.065 8.022 1.00 0.00 O ATOM 1937 CB LYS A 126 -7.305 -9.697 8.999 1.00 0.00 C ATOM 1938 CG LYS A 126 -8.611 -9.756 8.187 1.00 0.00 C ATOM 1939 CD LYS A 126 -8.958 -8.432 7.489 1.00 0.00 C ATOM 1940 CE LYS A 126 -9.993 -8.633 6.367 1.00 0.00 C ATOM 1941 NZ LYS A 126 -11.325 -9.023 6.876 1.00 0.00 N ATOM 0 H LYS A 126 -5.190 -10.123 10.265 1.00 0.00 H new ATOM 0 HA LYS A 126 -7.600 -11.588 9.911 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -7.470 -9.125 9.912 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -6.544 -9.168 8.425 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -8.528 -10.542 7.437 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -9.430 -10.034 8.851 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -9.348 -7.726 8.222 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -8.052 -7.992 7.073 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -10.084 -7.710 5.794 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -9.633 -9.400 5.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -11.980 -9.144 6.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -11.248 -9.918 7.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -11.685 -8.281 7.510 1.00 0.00 H new ATOM 1955 N LEU A 127 -5.710 -11.407 7.171 1.00 0.00 N ATOM 1956 CA LEU A 127 -5.443 -12.085 5.905 1.00 0.00 C ATOM 1957 C LEU A 127 -4.635 -13.353 6.149 1.00 0.00 C ATOM 1958 O LEU A 127 -4.787 -14.331 5.416 1.00 0.00 O ATOM 1959 CB LEU A 127 -4.676 -11.202 4.899 1.00 0.00 C ATOM 1960 CG LEU A 127 -5.172 -9.759 4.701 1.00 0.00 C ATOM 1961 CD1 LEU A 127 -4.489 -9.140 3.476 1.00 0.00 C ATOM 1962 CD2 LEU A 127 -6.692 -9.663 4.566 1.00 0.00 C ATOM 0 H LEU A 127 -5.261 -10.495 7.258 1.00 0.00 H new ATOM 0 HA LEU A 127 -6.416 -12.320 5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -3.634 -11.159 5.215 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -4.695 -11.701 3.930 1.00 0.00 H new ATOM 0 HG LEU A 127 -4.904 -9.201 5.599 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.843 -8.118 3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.409 -9.133 3.626 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.728 -9.728 2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -6.980 -8.621 4.429 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -7.018 -10.246 3.705 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -7.163 -10.054 5.468 1.00 0.00 H new ATOM 1974 N GLY A 128 -3.785 -13.367 7.173 1.00 0.00 N ATOM 1975 CA GLY A 128 -2.764 -14.386 7.314 1.00 0.00 C ATOM 1976 C GLY A 128 -1.513 -13.970 6.550 1.00 0.00 C ATOM 1977 O GLY A 128 -0.898 -14.832 5.914 1.00 0.00 O ATOM 0 H GLY A 128 -3.789 -12.674 7.921 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -2.526 -14.533 8.368 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -3.133 -15.339 6.935 1.00 0.00 H new ATOM 1981 N MET A 129 -1.160 -12.675 6.552 1.00 0.00 N ATOM 1982 CA MET A 129 0.175 -12.244 6.131 1.00 0.00 C ATOM 1983 C MET A 129 1.184 -12.631 7.202 1.00 0.00 C ATOM 1984 O MET A 129 2.399 -12.459 6.974 1.00 0.00 O ATOM 1985 CB MET A 129 0.205 -10.732 5.851 1.00 0.00 C ATOM 1986 CG MET A 129 -0.427 -10.370 4.501 1.00 0.00 C ATOM 1987 SD MET A 129 0.364 -11.075 3.020 1.00 0.00 S ATOM 1988 CE MET A 129 2.061 -10.446 3.177 1.00 0.00 C ATOM 1989 OXT MET A 129 0.797 -13.168 8.261 1.00 0.00 O ATOM 0 H MET A 129 -1.778 -11.916 6.839 1.00 0.00 H new ATOM 0 HA MET A 129 0.438 -12.744 5.199 1.00 0.00 H new ATOM 0 HB2 MET A 129 -0.323 -10.208 6.648 1.00 0.00 H new ATOM 0 HB3 MET A 129 1.237 -10.383 5.870 1.00 0.00 H new ATOM 0 HG2 MET A 129 -1.469 -10.688 4.516 1.00 0.00 H new ATOM 0 HG3 MET A 129 -0.427 -9.284 4.404 1.00 0.00 H new ATOM 0 HE1 MET A 129 2.610 -10.647 2.257 1.00 0.00 H new ATOM 0 HE2 MET A 129 2.035 -9.371 3.357 1.00 0.00 H new ATOM 0 HE3 MET A 129 2.557 -10.942 4.011 1.00 0.00 H new TER 1999 MET A 129