USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 836 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 19 SER OG : rot 56:sc= 0.064 USER MOD Set 1.2: A 103 GLN : amide:sc= -6.77 K(o=-6.7,f=-7.6!) USER MOD Set 2.1: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 82 THR OG1 : rot 0:sc= -2.37 USER MOD Set 3.1: A 27 CYS SG : rot -75:sc= -0.132 USER MOD Set 3.2: A 66 CYS SG : rot 102:sc= 1.25 USER MOD Set 4.1: A 23 ASN : amide:sc= -2.19 K(o=-5,f=-5.9!) USER MOD Set 4.2: A 28 THR OG1 : rot -170:sc= -2.85 USER MOD Set 5.1: A 5 ASN : amide:sc= -2.92 X(o=-2.9,f=-2.4!) USER MOD Set 5.2: A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ -123:sc=-0.00772 (180deg=-0.207) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -145:sc= -0.092 (180deg=-0.463) USER MOD Single : A 10 LYS NZ :NH3+ -147:sc= -6.93 (180deg=-10.2!) USER MOD Single : A 11 LYS NZ :NH3+ 141:sc= 0.346 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -110:sc= -0.103 (180deg=-2.15!) USER MOD Single : A 21 SER OG : rot 88:sc= -2.28! USER MOD Single : A 34 GLN : amide:sc= -0.425 K(o=-0.42,f=-2) USER MOD Single : A 36 GLN : amide:sc= -1.3 K(o=-1.3,f=-3.9!) USER MOD Single : A 37 TYR OH : rot -70:sc= 1.06 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 154:sc= 1.28 (180deg=1.2) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.236 X(o=-0.24,f=0) USER MOD Single : A 64 GLN : amide:sc= -0.0107 X(o=-0.011,f=-0.011) USER MOD Single : A 67 TYR OH : rot -43:sc= 1.27 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -2.82 K(o=-2.8,f=-1.1) USER MOD Single : A 76 LYS NZ :NH3+ 161:sc= -3.45 (180deg=-4.72) USER MOD Single : A 79 MET CE :methyl -176:sc= -0.716 (180deg=-0.768) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= -0.187 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 170:sc= -1.11 USER MOD Single : A 102 ASN : amide:sc= -1.8! K(o=-1.8!,f=0) USER MOD Single : A 104 TYR OH : rot -122:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -1.502 -10.197 -14.028 1.00 0.00 N ATOM 2 CA LEU A 1 -1.199 -9.192 -12.976 1.00 0.00 C ATOM 3 C LEU A 1 -0.833 -7.844 -13.589 1.00 0.00 C ATOM 4 O LEU A 1 0.182 -7.718 -14.274 1.00 0.00 O ATOM 5 CB LEU A 1 -0.040 -9.713 -12.122 1.00 0.00 C ATOM 6 CG LEU A 1 -0.450 -10.620 -10.958 1.00 0.00 C ATOM 7 CD1 LEU A 1 -0.294 -12.083 -11.340 1.00 0.00 C ATOM 8 CD2 LEU A 1 0.372 -10.300 -9.719 1.00 0.00 C ATOM 0 H1 LEU A 1 -2.459 -10.576 -13.881 1.00 0.00 H new ATOM 0 H2 LEU A 1 -1.448 -9.747 -14.964 1.00 0.00 H new ATOM 0 H3 LEU A 1 -0.811 -10.973 -13.976 1.00 0.00 H new ATOM 0 HA LEU A 1 -2.085 -9.044 -12.359 1.00 0.00 H new ATOM 0 HB2 LEU A 1 0.648 -10.262 -12.766 1.00 0.00 H new ATOM 0 HB3 LEU A 1 0.509 -8.860 -11.722 1.00 0.00 H new ATOM 0 HG LEU A 1 -1.500 -10.436 -10.731 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -0.590 -12.712 -10.500 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -0.927 -12.304 -12.200 1.00 0.00 H new ATOM 0 HD13 LEU A 1 0.747 -12.284 -11.594 1.00 0.00 H new ATOM 0 HD21 LEU A 1 0.068 -10.954 -8.902 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.429 -10.456 -9.934 1.00 0.00 H new ATOM 0 HD23 LEU A 1 0.209 -9.261 -9.433 1.00 0.00 H new ATOM 22 N GLU A 2 -1.666 -6.839 -13.337 1.00 0.00 N ATOM 23 CA GLU A 2 -1.427 -5.499 -13.864 1.00 0.00 C ATOM 24 C GLU A 2 -0.594 -4.674 -12.894 1.00 0.00 C ATOM 25 O GLU A 2 -0.538 -4.971 -11.700 1.00 0.00 O ATOM 26 CB GLU A 2 -2.753 -4.785 -14.134 1.00 0.00 C ATOM 27 CG GLU A 2 -2.758 -3.980 -15.423 1.00 0.00 C ATOM 28 CD GLU A 2 -3.170 -4.805 -16.625 1.00 0.00 C ATOM 29 OE1 GLU A 2 -2.749 -5.977 -16.714 1.00 0.00 O ATOM 30 OE2 GLU A 2 -3.914 -4.278 -17.479 1.00 0.00 O ATOM 0 H GLU A 2 -2.511 -6.926 -12.772 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.877 -5.602 -14.800 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.553 -5.524 -14.174 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -2.975 -4.120 -13.299 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.439 -3.135 -15.317 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.763 -3.568 -15.594 1.00 0.00 H new ATOM 37 N LYS A 3 0.041 -3.628 -13.410 1.00 0.00 N ATOM 38 CA LYS A 3 0.858 -2.750 -12.585 1.00 0.00 C ATOM 39 C LYS A 3 0.883 -1.338 -13.157 1.00 0.00 C ATOM 40 O LYS A 3 1.157 -1.140 -14.341 1.00 0.00 O ATOM 41 CB LYS A 3 2.289 -3.280 -12.468 1.00 0.00 C ATOM 42 CG LYS A 3 2.374 -4.765 -12.169 1.00 0.00 C ATOM 43 CD LYS A 3 3.819 -5.214 -12.008 1.00 0.00 C ATOM 44 CE LYS A 3 3.974 -6.196 -10.859 1.00 0.00 C ATOM 45 NZ LYS A 3 4.932 -7.288 -11.185 1.00 0.00 N ATOM 0 H LYS A 3 0.005 -3.368 -14.396 1.00 0.00 H new ATOM 0 HA LYS A 3 0.410 -2.724 -11.592 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.818 -3.076 -13.399 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.806 -2.731 -11.681 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.818 -4.987 -11.258 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.903 -5.328 -12.975 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.162 -5.678 -12.933 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.453 -4.345 -11.833 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.318 -5.665 -9.972 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.002 -6.626 -10.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.009 -7.936 -10.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.591 -7.812 -12.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.866 -6.880 -11.392 1.00 0.00 H new ATOM 59 N PHE A 4 0.606 -0.361 -12.305 1.00 0.00 N ATOM 60 CA PHE A 4 0.610 1.035 -12.714 1.00 0.00 C ATOM 61 C PHE A 4 1.281 1.891 -11.648 1.00 0.00 C ATOM 62 O PHE A 4 1.605 1.399 -10.567 1.00 0.00 O ATOM 63 CB PHE A 4 -0.820 1.519 -12.986 1.00 0.00 C ATOM 64 CG PHE A 4 -1.651 1.712 -11.750 1.00 0.00 C ATOM 65 CD1 PHE A 4 -2.281 0.636 -11.141 1.00 0.00 C ATOM 66 CD2 PHE A 4 -1.808 2.971 -11.199 1.00 0.00 C ATOM 67 CE1 PHE A 4 -3.049 0.818 -10.008 1.00 0.00 C ATOM 68 CE2 PHE A 4 -2.575 3.156 -10.071 1.00 0.00 C ATOM 69 CZ PHE A 4 -3.197 2.080 -9.473 1.00 0.00 C ATOM 0 H PHE A 4 0.375 -0.511 -11.323 1.00 0.00 H new ATOM 0 HA PHE A 4 1.179 1.129 -13.639 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.775 2.462 -13.531 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.318 0.799 -13.636 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.169 -0.354 -11.558 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.323 3.819 -11.659 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.533 -0.027 -9.541 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.690 4.145 -9.654 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.798 2.226 -8.588 1.00 0.00 H new ATOM 79 N ASN A 5 1.502 3.163 -11.952 1.00 0.00 N ATOM 80 CA ASN A 5 2.152 4.063 -11.007 1.00 0.00 C ATOM 81 C ASN A 5 1.170 5.078 -10.435 1.00 0.00 C ATOM 82 O ASN A 5 0.369 5.665 -11.162 1.00 0.00 O ATOM 83 CB ASN A 5 3.316 4.788 -11.686 1.00 0.00 C ATOM 84 CG ASN A 5 4.648 4.498 -11.021 1.00 0.00 C ATOM 85 OD1 ASN A 5 5.661 4.301 -11.693 1.00 0.00 O ATOM 86 ND2 ASN A 5 4.654 4.469 -9.694 1.00 0.00 N ATOM 0 H ASN A 5 1.243 3.594 -12.840 1.00 0.00 H new ATOM 0 HA ASN A 5 2.532 3.461 -10.182 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.364 4.490 -12.733 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.131 5.862 -11.668 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.521 4.278 -9.192 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.792 4.638 -9.176 1.00 0.00 H new ATOM 93 N VAL A 6 1.249 5.285 -9.124 1.00 0.00 N ATOM 94 CA VAL A 6 0.383 6.235 -8.441 1.00 0.00 C ATOM 95 C VAL A 6 1.209 7.353 -7.827 1.00 0.00 C ATOM 96 O VAL A 6 1.896 7.146 -6.829 1.00 0.00 O ATOM 97 CB VAL A 6 -0.428 5.555 -7.323 1.00 0.00 C ATOM 98 CG1 VAL A 6 -1.503 6.488 -6.789 1.00 0.00 C ATOM 99 CG2 VAL A 6 -1.029 4.254 -7.812 1.00 0.00 C ATOM 0 H VAL A 6 1.908 4.804 -8.512 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.305 6.638 -9.184 1.00 0.00 H new ATOM 0 HB VAL A 6 0.251 5.324 -6.502 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.062 5.985 -6.000 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.037 7.387 -6.386 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.181 6.762 -7.597 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.598 3.790 -7.006 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.691 4.453 -8.655 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.232 3.581 -8.127 1.00 0.00 H new ATOM 109 N ASP A 7 1.143 8.537 -8.416 1.00 0.00 N ATOM 110 CA ASP A 7 1.901 9.667 -7.905 1.00 0.00 C ATOM 111 C ASP A 7 0.977 10.742 -7.350 1.00 0.00 C ATOM 112 O ASP A 7 0.067 11.208 -8.035 1.00 0.00 O ATOM 113 CB ASP A 7 2.774 10.259 -9.012 1.00 0.00 C ATOM 114 CG ASP A 7 1.990 10.538 -10.280 1.00 0.00 C ATOM 115 OD1 ASP A 7 1.605 9.569 -10.967 1.00 0.00 O ATOM 116 OD2 ASP A 7 1.761 11.728 -10.587 1.00 0.00 O ATOM 0 H ASP A 7 0.578 8.739 -9.241 1.00 0.00 H new ATOM 0 HA ASP A 7 2.536 9.307 -7.095 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.227 11.185 -8.657 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.589 9.570 -9.236 1.00 0.00 H new ATOM 121 N LEU A 8 1.228 11.150 -6.111 1.00 0.00 N ATOM 122 CA LEU A 8 0.427 12.193 -5.484 1.00 0.00 C ATOM 123 C LEU A 8 1.258 12.961 -4.471 1.00 0.00 C ATOM 124 O LEU A 8 2.251 12.455 -3.961 1.00 0.00 O ATOM 125 CB LEU A 8 -0.852 11.628 -4.831 1.00 0.00 C ATOM 126 CG LEU A 8 -0.692 10.439 -3.867 1.00 0.00 C ATOM 127 CD1 LEU A 8 0.146 9.331 -4.481 1.00 0.00 C ATOM 128 CD2 LEU A 8 -0.110 10.887 -2.531 1.00 0.00 C ATOM 0 H LEU A 8 1.975 10.777 -5.525 1.00 0.00 H new ATOM 0 HA LEU A 8 0.108 12.879 -6.269 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.338 12.438 -4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.531 11.326 -5.628 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.687 10.035 -3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.237 8.508 -3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.335 8.973 -5.392 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.137 9.715 -4.721 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.009 10.025 -1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.869 11.337 -2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.774 11.619 -2.072 1.00 0.00 H new ATOM 140 N MET A 9 0.858 14.189 -4.189 1.00 0.00 N ATOM 141 CA MET A 9 1.586 15.014 -3.239 1.00 0.00 C ATOM 142 C MET A 9 1.405 14.488 -1.823 1.00 0.00 C ATOM 143 O MET A 9 0.291 14.444 -1.303 1.00 0.00 O ATOM 144 CB MET A 9 1.119 16.465 -3.332 1.00 0.00 C ATOM 145 CG MET A 9 1.989 17.319 -4.240 1.00 0.00 C ATOM 146 SD MET A 9 2.961 18.538 -3.332 1.00 0.00 S ATOM 147 CE MET A 9 4.617 17.905 -3.585 1.00 0.00 C ATOM 0 H MET A 9 0.038 14.635 -4.601 1.00 0.00 H new ATOM 0 HA MET A 9 2.647 14.972 -3.487 1.00 0.00 H new ATOM 0 HB2 MET A 9 0.093 16.486 -3.698 1.00 0.00 H new ATOM 0 HB3 MET A 9 1.110 16.901 -2.333 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.661 16.673 -4.805 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.356 17.832 -4.964 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.216 18.087 -2.693 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.571 16.833 -3.779 1.00 0.00 H new ATOM 0 HE3 MET A 9 5.073 18.409 -4.438 1.00 0.00 H new ATOM 157 N LYS A 10 2.509 14.080 -1.210 1.00 0.00 N ATOM 158 CA LYS A 10 2.473 13.543 0.140 1.00 0.00 C ATOM 159 C LYS A 10 2.891 14.585 1.167 1.00 0.00 C ATOM 160 O LYS A 10 3.950 15.199 1.055 1.00 0.00 O ATOM 161 CB LYS A 10 3.386 12.322 0.255 1.00 0.00 C ATOM 162 CG LYS A 10 2.672 11.074 0.744 1.00 0.00 C ATOM 163 CD LYS A 10 2.775 10.939 2.254 1.00 0.00 C ATOM 164 CE LYS A 10 1.410 10.954 2.909 1.00 0.00 C ATOM 165 NZ LYS A 10 1.053 12.301 3.420 1.00 0.00 N ATOM 0 H LYS A 10 3.439 14.112 -1.628 1.00 0.00 H new ATOM 0 HA LYS A 10 1.444 13.249 0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.831 12.118 -0.719 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.204 12.553 0.937 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.623 11.113 0.450 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.104 10.194 0.267 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.288 10.010 2.503 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.379 11.754 2.652 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.659 10.629 2.189 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.395 10.239 3.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.474 12.204 4.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.921 12.828 3.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.514 12.816 2.695 1.00 0.00 H new ATOM 179 N LYS A 11 2.057 14.756 2.182 1.00 0.00 N ATOM 180 CA LYS A 11 2.343 15.700 3.255 1.00 0.00 C ATOM 181 C LYS A 11 2.393 14.973 4.599 1.00 0.00 C ATOM 182 O LYS A 11 1.536 15.165 5.462 1.00 0.00 O ATOM 183 CB LYS A 11 1.299 16.816 3.296 1.00 0.00 C ATOM 184 CG LYS A 11 0.833 17.269 1.920 1.00 0.00 C ATOM 185 CD LYS A 11 1.877 18.139 1.238 1.00 0.00 C ATOM 186 CE LYS A 11 1.485 18.462 -0.194 1.00 0.00 C ATOM 187 NZ LYS A 11 1.727 19.895 -0.527 1.00 0.00 N ATOM 0 H LYS A 11 1.176 14.253 2.286 1.00 0.00 H new ATOM 0 HA LYS A 11 3.316 16.152 3.060 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.436 16.473 3.867 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.715 17.671 3.829 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.623 16.397 1.300 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.100 17.825 2.015 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.003 19.065 1.799 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.840 17.628 1.246 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.052 17.830 -0.877 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.431 18.228 -0.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.093 19.969 -1.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.835 20.424 -0.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.423 20.293 0.136 1.00 0.00 H new ATOM 201 N ALA A 12 3.423 14.149 4.761 1.00 0.00 N ATOM 202 CA ALA A 12 3.642 13.381 5.985 1.00 0.00 C ATOM 203 C ALA A 12 2.391 12.641 6.473 1.00 0.00 C ATOM 204 O ALA A 12 1.726 13.081 7.409 1.00 0.00 O ATOM 205 CB ALA A 12 4.168 14.293 7.083 1.00 0.00 C ATOM 0 H ALA A 12 4.133 13.993 4.045 1.00 0.00 H new ATOM 0 HA ALA A 12 4.380 12.616 5.744 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.329 13.713 7.992 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.111 14.738 6.765 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.442 15.082 7.280 1.00 0.00 H new ATOM 211 N GLY A 13 2.102 11.495 5.853 1.00 0.00 N ATOM 212 CA GLY A 13 0.963 10.682 6.252 1.00 0.00 C ATOM 213 C GLY A 13 -0.309 11.469 6.492 1.00 0.00 C ATOM 214 O GLY A 13 -0.501 12.041 7.565 1.00 0.00 O ATOM 0 H GLY A 13 2.642 11.114 5.076 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.775 9.936 5.480 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.219 10.140 7.163 1.00 0.00 H new ATOM 218 N LYS A 14 -1.187 11.486 5.495 1.00 0.00 N ATOM 219 CA LYS A 14 -2.454 12.199 5.616 1.00 0.00 C ATOM 220 C LYS A 14 -3.523 11.631 4.669 1.00 0.00 C ATOM 221 O LYS A 14 -4.126 10.595 4.950 1.00 0.00 O ATOM 222 CB LYS A 14 -2.257 13.693 5.362 1.00 0.00 C ATOM 223 CG LYS A 14 -1.303 13.999 4.225 1.00 0.00 C ATOM 224 CD LYS A 14 -1.691 15.281 3.500 1.00 0.00 C ATOM 225 CE LYS A 14 -1.912 16.434 4.470 1.00 0.00 C ATOM 226 NZ LYS A 14 -2.045 17.739 3.764 1.00 0.00 N ATOM 0 H LYS A 14 -1.047 11.018 4.600 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.810 12.058 6.637 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.224 14.146 5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.884 14.161 6.273 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.289 14.093 4.615 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.298 13.168 3.519 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.908 15.548 2.790 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.600 15.112 2.923 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.811 16.246 5.058 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.078 16.484 5.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.206 18.323 3.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.128 17.573 2.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.894 18.233 4.105 1.00 0.00 H new ATOM 240 N GLU A 15 -3.762 12.330 3.561 1.00 0.00 N ATOM 241 CA GLU A 15 -4.759 11.935 2.577 1.00 0.00 C ATOM 242 C GLU A 15 -4.374 10.668 1.807 1.00 0.00 C ATOM 243 O GLU A 15 -5.165 10.169 1.008 1.00 0.00 O ATOM 244 CB GLU A 15 -5.021 13.087 1.607 1.00 0.00 C ATOM 245 CG GLU A 15 -5.694 14.298 2.244 1.00 0.00 C ATOM 246 CD GLU A 15 -6.797 13.929 3.219 1.00 0.00 C ATOM 247 OE1 GLU A 15 -6.479 13.395 4.302 1.00 0.00 O ATOM 248 OE2 GLU A 15 -7.978 14.181 2.901 1.00 0.00 O ATOM 0 H GLU A 15 -3.266 13.189 3.323 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.670 11.699 3.126 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.074 13.401 1.168 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.646 12.725 0.791 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.942 14.891 2.765 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.109 14.929 1.458 1.00 0.00 H new ATOM 255 N LEU A 16 -3.163 10.145 2.028 1.00 0.00 N ATOM 256 CA LEU A 16 -2.726 8.936 1.319 1.00 0.00 C ATOM 257 C LEU A 16 -3.837 7.887 1.332 1.00 0.00 C ATOM 258 O LEU A 16 -3.980 7.104 0.394 1.00 0.00 O ATOM 259 CB LEU A 16 -1.457 8.362 1.960 1.00 0.00 C ATOM 260 CG LEU A 16 -0.169 8.584 1.162 1.00 0.00 C ATOM 261 CD1 LEU A 16 1.044 8.179 1.985 1.00 0.00 C ATOM 262 CD2 LEU A 16 -0.202 7.809 -0.143 1.00 0.00 C ATOM 0 H LEU A 16 -2.479 10.530 2.679 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.502 9.205 0.287 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.335 8.806 2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.595 7.291 2.107 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.094 9.646 0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.950 8.343 1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.083 8.779 2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.969 7.124 2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.723 7.982 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.305 6.745 0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.048 8.143 -0.743 1.00 0.00 H new ATOM 274 N GLY A 17 -4.643 7.921 2.392 1.00 0.00 N ATOM 275 CA GLY A 17 -5.777 7.022 2.536 1.00 0.00 C ATOM 276 C GLY A 17 -5.645 5.696 1.810 1.00 0.00 C ATOM 277 O GLY A 17 -6.440 5.386 0.924 1.00 0.00 O ATOM 0 H GLY A 17 -4.526 8.571 3.169 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.931 6.824 3.597 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.671 7.529 2.174 1.00 0.00 H new ATOM 281 N LEU A 18 -4.659 4.903 2.198 1.00 0.00 N ATOM 282 CA LEU A 18 -4.455 3.595 1.588 1.00 0.00 C ATOM 283 C LEU A 18 -3.927 2.610 2.616 1.00 0.00 C ATOM 284 O LEU A 18 -2.719 2.501 2.828 1.00 0.00 O ATOM 285 CB LEU A 18 -3.491 3.683 0.408 1.00 0.00 C ATOM 286 CG LEU A 18 -2.346 4.676 0.580 1.00 0.00 C ATOM 287 CD1 LEU A 18 -1.116 3.980 1.140 1.00 0.00 C ATOM 288 CD2 LEU A 18 -2.028 5.351 -0.744 1.00 0.00 C ATOM 0 H LEU A 18 -3.989 5.139 2.930 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.418 3.243 1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.070 2.694 0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.056 3.955 -0.483 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.655 5.443 1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.309 4.704 1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.355 3.544 2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.801 3.192 0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.209 6.057 -0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.738 4.597 -1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.909 5.884 -1.102 1.00 0.00 H new ATOM 300 N SER A 19 -4.842 1.896 3.255 1.00 0.00 N ATOM 301 CA SER A 19 -4.466 0.917 4.267 1.00 0.00 C ATOM 302 C SER A 19 -3.710 -0.240 3.627 1.00 0.00 C ATOM 303 O SER A 19 -4.252 -0.957 2.787 1.00 0.00 O ATOM 304 CB SER A 19 -5.704 0.405 5.005 1.00 0.00 C ATOM 305 OG SER A 19 -5.385 -0.693 5.840 1.00 0.00 O ATOM 0 H SER A 19 -5.846 1.975 3.093 1.00 0.00 H new ATOM 0 HA SER A 19 -3.811 1.401 4.992 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.132 1.209 5.604 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.464 0.107 4.283 1.00 0.00 H new ATOM 0 HG SER A 19 -4.674 -0.434 6.463 1.00 0.00 H new ATOM 311 N LEU A 20 -2.450 -0.402 4.018 1.00 0.00 N ATOM 312 CA LEU A 20 -1.607 -1.460 3.468 1.00 0.00 C ATOM 313 C LEU A 20 -1.654 -2.726 4.317 1.00 0.00 C ATOM 314 O LEU A 20 -2.060 -2.700 5.478 1.00 0.00 O ATOM 315 CB LEU A 20 -0.158 -0.975 3.354 1.00 0.00 C ATOM 316 CG LEU A 20 0.061 0.270 2.487 1.00 0.00 C ATOM 317 CD1 LEU A 20 -0.983 0.359 1.382 1.00 0.00 C ATOM 318 CD2 LEU A 20 0.041 1.524 3.349 1.00 0.00 C ATOM 0 H LEU A 20 -1.989 0.185 4.713 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.996 -1.703 2.479 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.216 -0.767 4.357 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.447 -1.787 2.950 1.00 0.00 H new ATOM 0 HG LEU A 20 1.040 0.188 2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.803 1.252 0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.916 -0.524 0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.978 0.413 1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.198 2.400 2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.923 1.605 3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.834 1.466 4.094 1.00 0.00 H new ATOM 330 N SER A 21 -1.219 -3.833 3.721 1.00 0.00 N ATOM 331 CA SER A 21 -1.188 -5.122 4.405 1.00 0.00 C ATOM 332 C SER A 21 0.095 -5.877 4.063 1.00 0.00 C ATOM 333 O SER A 21 0.631 -5.737 2.964 1.00 0.00 O ATOM 334 CB SER A 21 -2.408 -5.961 4.022 1.00 0.00 C ATOM 335 OG SER A 21 -3.553 -5.146 3.837 1.00 0.00 O ATOM 0 H SER A 21 -0.881 -3.862 2.759 1.00 0.00 H new ATOM 0 HA SER A 21 -1.212 -4.940 5.479 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.200 -6.513 3.106 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.605 -6.698 4.801 1.00 0.00 H new ATOM 0 HG SER A 21 -3.581 -4.827 2.911 1.00 0.00 H new ATOM 341 N PRO A 22 0.611 -6.683 5.005 1.00 0.00 N ATOM 342 CA PRO A 22 1.844 -7.454 4.799 1.00 0.00 C ATOM 343 C PRO A 22 1.775 -8.366 3.575 1.00 0.00 C ATOM 344 O PRO A 22 0.873 -9.196 3.456 1.00 0.00 O ATOM 345 CB PRO A 22 1.962 -8.293 6.075 1.00 0.00 C ATOM 346 CG PRO A 22 1.158 -7.564 7.095 1.00 0.00 C ATOM 347 CD PRO A 22 0.039 -6.901 6.345 1.00 0.00 C ATOM 0 HA PRO A 22 2.697 -6.800 4.617 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.580 -9.302 5.920 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.002 -8.390 6.388 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.770 -8.249 7.849 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.767 -6.827 7.618 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.848 -7.533 6.306 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.258 -5.963 6.813 1.00 0.00 H new ATOM 355 N ASN A 23 2.741 -8.211 2.674 1.00 0.00 N ATOM 356 CA ASN A 23 2.799 -9.026 1.465 1.00 0.00 C ATOM 357 C ASN A 23 4.240 -9.396 1.124 1.00 0.00 C ATOM 358 O ASN A 23 5.186 -8.779 1.616 1.00 0.00 O ATOM 359 CB ASN A 23 2.156 -8.293 0.286 1.00 0.00 C ATOM 360 CG ASN A 23 1.049 -9.105 -0.349 1.00 0.00 C ATOM 361 OD1 ASN A 23 0.974 -9.232 -1.570 1.00 0.00 O ATOM 362 ND2 ASN A 23 0.178 -9.662 0.485 1.00 0.00 N ATOM 0 H ASN A 23 3.494 -7.528 2.758 1.00 0.00 H new ATOM 0 HA ASN A 23 2.241 -9.943 1.656 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.756 -7.338 0.627 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.917 -8.071 -0.462 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.592 -10.222 0.119 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.279 -9.530 1.491 1.00 0.00 H new ATOM 369 N GLU A 24 4.396 -10.409 0.279 1.00 0.00 N ATOM 370 CA GLU A 24 5.717 -10.870 -0.133 1.00 0.00 C ATOM 371 C GLU A 24 6.289 -9.983 -1.234 1.00 0.00 C ATOM 372 O GLU A 24 7.487 -9.698 -1.258 1.00 0.00 O ATOM 373 CB GLU A 24 5.637 -12.316 -0.629 1.00 0.00 C ATOM 374 CG GLU A 24 4.803 -12.478 -1.889 1.00 0.00 C ATOM 375 CD GLU A 24 4.412 -13.921 -2.147 1.00 0.00 C ATOM 376 OE1 GLU A 24 3.386 -14.367 -1.593 1.00 0.00 O ATOM 377 OE2 GLU A 24 5.134 -14.604 -2.902 1.00 0.00 O ATOM 0 H GLU A 24 3.622 -10.928 -0.135 1.00 0.00 H new ATOM 0 HA GLU A 24 6.378 -10.817 0.732 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.645 -12.683 -0.820 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.215 -12.940 0.159 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.902 -11.871 -1.805 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.364 -12.099 -2.743 1.00 0.00 H new ATOM 384 N ILE A 25 5.426 -9.561 -2.150 1.00 0.00 N ATOM 385 CA ILE A 25 5.840 -8.715 -3.264 1.00 0.00 C ATOM 386 C ILE A 25 5.709 -7.231 -2.933 1.00 0.00 C ATOM 387 O ILE A 25 6.173 -6.378 -3.688 1.00 0.00 O ATOM 388 CB ILE A 25 5.020 -9.023 -4.530 1.00 0.00 C ATOM 389 CG1 ILE A 25 3.529 -8.756 -4.276 1.00 0.00 C ATOM 390 CG2 ILE A 25 5.258 -10.464 -4.962 1.00 0.00 C ATOM 391 CD1 ILE A 25 2.599 -9.489 -5.222 1.00 0.00 C ATOM 0 H ILE A 25 4.432 -9.791 -2.144 1.00 0.00 H new ATOM 0 HA ILE A 25 6.891 -8.939 -3.448 1.00 0.00 H new ATOM 0 HB ILE A 25 5.343 -8.367 -5.338 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.289 -9.043 -3.252 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.343 -7.685 -4.358 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.675 -10.676 -5.858 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.317 -10.610 -5.175 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.952 -11.139 -4.162 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.565 -9.247 -4.976 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.809 -9.184 -6.247 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.753 -10.564 -5.124 1.00 0.00 H new ATOM 403 N GLY A 26 5.080 -6.925 -1.803 1.00 0.00 N ATOM 404 CA GLY A 26 4.914 -5.543 -1.407 1.00 0.00 C ATOM 405 C GLY A 26 3.952 -5.385 -0.249 1.00 0.00 C ATOM 406 O GLY A 26 4.145 -5.977 0.812 1.00 0.00 O ATOM 0 H GLY A 26 4.684 -7.609 -1.158 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.883 -5.129 -1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.552 -4.965 -2.258 1.00 0.00 H new ATOM 410 N CYS A 27 2.912 -4.586 -0.452 1.00 0.00 N ATOM 411 CA CYS A 27 1.919 -4.354 0.587 1.00 0.00 C ATOM 412 C CYS A 27 0.513 -4.303 -0.004 1.00 0.00 C ATOM 413 O CYS A 27 0.134 -3.322 -0.644 1.00 0.00 O ATOM 414 CB CYS A 27 2.212 -3.051 1.346 1.00 0.00 C ATOM 415 SG CYS A 27 3.462 -1.987 0.580 1.00 0.00 S ATOM 0 H CYS A 27 2.735 -4.089 -1.325 1.00 0.00 H new ATOM 0 HA CYS A 27 1.975 -5.187 1.287 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.284 -2.487 1.441 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.538 -3.301 2.356 1.00 0.00 H new ATOM 0 HG CYS A 27 4.643 -2.491 0.781 1.00 0.00 H new ATOM 421 N THR A 28 -0.256 -5.361 0.225 1.00 0.00 N ATOM 422 CA THR A 28 -1.621 -5.435 -0.276 1.00 0.00 C ATOM 423 C THR A 28 -2.500 -4.404 0.416 1.00 0.00 C ATOM 424 O THR A 28 -2.665 -4.435 1.635 1.00 0.00 O ATOM 425 CB THR A 28 -2.197 -6.837 -0.054 1.00 0.00 C ATOM 426 OG1 THR A 28 -1.401 -7.819 -0.695 1.00 0.00 O ATOM 427 CG2 THR A 28 -3.614 -6.992 -0.563 1.00 0.00 C ATOM 0 H THR A 28 0.044 -6.179 0.755 1.00 0.00 H new ATOM 0 HA THR A 28 -1.603 -5.224 -1.345 1.00 0.00 H new ATOM 0 HB THR A 28 -2.199 -6.976 1.027 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.867 -8.681 -0.676 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.959 -8.008 -0.374 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.265 -6.286 -0.048 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.639 -6.794 -1.635 1.00 0.00 H new ATOM 435 N ILE A 29 -3.066 -3.492 -0.365 1.00 0.00 N ATOM 436 CA ILE A 29 -3.930 -2.462 0.187 1.00 0.00 C ATOM 437 C ILE A 29 -5.203 -3.078 0.748 1.00 0.00 C ATOM 438 O ILE A 29 -6.103 -3.459 -0.002 1.00 0.00 O ATOM 439 CB ILE A 29 -4.304 -1.411 -0.877 1.00 0.00 C ATOM 440 CG1 ILE A 29 -3.046 -0.866 -1.554 1.00 0.00 C ATOM 441 CG2 ILE A 29 -5.107 -0.282 -0.249 1.00 0.00 C ATOM 442 CD1 ILE A 29 -3.248 -0.529 -3.016 1.00 0.00 C ATOM 0 H ILE A 29 -2.942 -3.446 -1.376 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.377 -1.969 0.987 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.922 -1.890 -1.636 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.716 0.028 -1.025 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.247 -1.602 -1.465 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.363 0.451 -1.014 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.021 -0.685 0.188 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.513 0.197 0.529 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.316 -0.148 -3.434 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.549 -1.426 -3.558 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.025 0.230 -3.111 1.00 0.00 H new ATOM 454 N ALA A 30 -5.279 -3.165 2.071 1.00 0.00 N ATOM 455 CA ALA A 30 -6.448 -3.726 2.727 1.00 0.00 C ATOM 456 C ALA A 30 -7.647 -2.801 2.555 1.00 0.00 C ATOM 457 O ALA A 30 -8.792 -3.251 2.537 1.00 0.00 O ATOM 458 CB ALA A 30 -6.165 -3.967 4.202 1.00 0.00 C ATOM 0 H ALA A 30 -4.545 -2.854 2.707 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.682 -4.684 2.262 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.051 -4.387 4.678 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.333 -4.664 4.304 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.908 -3.023 4.682 1.00 0.00 H new ATOM 464 N ASP A 31 -7.370 -1.507 2.423 1.00 0.00 N ATOM 465 CA ASP A 31 -8.423 -0.515 2.248 1.00 0.00 C ATOM 466 C ASP A 31 -7.858 0.813 1.775 1.00 0.00 C ATOM 467 O ASP A 31 -6.646 0.980 1.635 1.00 0.00 O ATOM 468 CB ASP A 31 -9.172 -0.284 3.560 1.00 0.00 C ATOM 469 CG ASP A 31 -10.248 -1.324 3.809 1.00 0.00 C ATOM 470 OD1 ASP A 31 -11.375 -1.144 3.300 1.00 0.00 O ATOM 471 OD2 ASP A 31 -9.965 -2.315 4.513 1.00 0.00 O ATOM 0 H ASP A 31 -6.425 -1.122 2.434 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.107 -0.905 1.494 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.462 -0.297 4.387 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.626 0.707 3.545 1.00 0.00 H new ATOM 476 N LEU A 32 -8.755 1.762 1.566 1.00 0.00 N ATOM 477 CA LEU A 32 -8.383 3.100 1.147 1.00 0.00 C ATOM 478 C LEU A 32 -9.546 4.050 1.372 1.00 0.00 C ATOM 479 O LEU A 32 -10.695 3.724 1.072 1.00 0.00 O ATOM 480 CB LEU A 32 -7.935 3.139 -0.317 1.00 0.00 C ATOM 481 CG LEU A 32 -8.493 2.038 -1.215 1.00 0.00 C ATOM 482 CD1 LEU A 32 -10.003 1.939 -1.070 1.00 0.00 C ATOM 483 CD2 LEU A 32 -8.107 2.294 -2.662 1.00 0.00 C ATOM 0 H LEU A 32 -9.759 1.626 1.682 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.533 3.416 1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.219 4.103 -0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.847 3.087 -0.345 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.062 1.086 -0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.380 1.148 -1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.255 1.710 -0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.459 2.888 -1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.511 1.502 -3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.512 3.254 -2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.021 2.310 -2.751 1.00 0.00 H new ATOM 495 N ILE A 33 -9.249 5.223 1.909 1.00 0.00 N ATOM 496 CA ILE A 33 -10.281 6.208 2.178 1.00 0.00 C ATOM 497 C ILE A 33 -10.376 7.208 1.036 1.00 0.00 C ATOM 498 O ILE A 33 -9.573 8.136 0.931 1.00 0.00 O ATOM 499 CB ILE A 33 -10.024 6.952 3.508 1.00 0.00 C ATOM 500 CG1 ILE A 33 -8.588 7.467 3.582 1.00 0.00 C ATOM 501 CG2 ILE A 33 -10.313 6.048 4.683 1.00 0.00 C ATOM 502 CD1 ILE A 33 -8.223 8.042 4.931 1.00 0.00 C ATOM 0 H ILE A 33 -8.306 5.514 2.166 1.00 0.00 H new ATOM 0 HA ILE A 33 -11.227 5.673 2.266 1.00 0.00 H new ATOM 0 HB ILE A 33 -10.696 7.809 3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.905 6.651 3.347 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.445 8.232 2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.127 6.588 5.612 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.355 5.731 4.650 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.666 5.172 4.636 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.190 8.388 4.911 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.882 8.879 5.160 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.334 7.274 5.696 1.00 0.00 H new ATOM 514 N GLN A 34 -11.366 6.997 0.176 1.00 0.00 N ATOM 515 CA GLN A 34 -11.583 7.860 -0.975 1.00 0.00 C ATOM 516 C GLN A 34 -11.968 9.266 -0.534 1.00 0.00 C ATOM 517 O GLN A 34 -12.496 9.461 0.561 1.00 0.00 O ATOM 518 CB GLN A 34 -12.662 7.264 -1.880 1.00 0.00 C ATOM 519 CG GLN A 34 -12.386 5.821 -2.277 1.00 0.00 C ATOM 520 CD GLN A 34 -13.330 5.325 -3.356 1.00 0.00 C ATOM 521 OE1 GLN A 34 -14.064 6.105 -3.962 1.00 0.00 O ATOM 522 NE2 GLN A 34 -13.313 4.020 -3.604 1.00 0.00 N ATOM 0 H GLN A 34 -12.034 6.230 0.257 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.652 7.929 -1.538 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.624 7.315 -1.369 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.747 7.871 -2.781 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.358 5.735 -2.630 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.476 5.182 -1.398 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.688 3.409 -3.078 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -13.924 3.629 -4.321 1.00 0.00 H new ATOM 531 N GLY A 35 -11.680 10.244 -1.383 1.00 0.00 N ATOM 532 CA GLY A 35 -11.982 11.624 -1.053 1.00 0.00 C ATOM 533 C GLY A 35 -10.776 12.333 -0.470 1.00 0.00 C ATOM 534 O GLY A 35 -10.637 13.550 -0.596 1.00 0.00 O ATOM 0 H GLY A 35 -11.243 10.107 -2.294 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.316 12.148 -1.948 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.805 11.657 -0.339 1.00 0.00 H new ATOM 538 N GLN A 36 -9.898 11.560 0.161 1.00 0.00 N ATOM 539 CA GLN A 36 -8.687 12.097 0.764 1.00 0.00 C ATOM 540 C GLN A 36 -7.756 12.645 -0.309 1.00 0.00 C ATOM 541 O GLN A 36 -7.280 13.776 -0.212 1.00 0.00 O ATOM 542 CB GLN A 36 -7.989 11.008 1.587 1.00 0.00 C ATOM 543 CG GLN A 36 -8.453 10.944 3.033 1.00 0.00 C ATOM 544 CD GLN A 36 -9.964 10.914 3.164 1.00 0.00 C ATOM 545 OE1 GLN A 36 -10.605 9.906 2.866 1.00 0.00 O ATOM 546 NE2 GLN A 36 -10.542 12.022 3.612 1.00 0.00 N ATOM 0 H GLN A 36 -10.006 10.551 0.267 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.955 12.918 1.429 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.163 10.041 1.116 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.913 11.183 1.567 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.034 10.055 3.505 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.063 11.806 3.574 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.973 12.835 3.847 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.555 12.060 3.721 1.00 0.00 H new ATOM 555 N TYR A 37 -7.511 11.847 -1.336 1.00 0.00 N ATOM 556 CA TYR A 37 -6.648 12.263 -2.432 1.00 0.00 C ATOM 557 C TYR A 37 -7.291 11.927 -3.775 1.00 0.00 C ATOM 558 O TYR A 37 -7.907 10.872 -3.931 1.00 0.00 O ATOM 559 CB TYR A 37 -5.282 11.588 -2.316 1.00 0.00 C ATOM 560 CG TYR A 37 -4.248 12.385 -1.541 1.00 0.00 C ATOM 561 CD1 TYR A 37 -4.205 13.773 -1.599 1.00 0.00 C ATOM 562 CD2 TYR A 37 -3.291 11.735 -0.770 1.00 0.00 C ATOM 563 CE1 TYR A 37 -3.243 14.487 -0.908 1.00 0.00 C ATOM 564 CE2 TYR A 37 -2.325 12.440 -0.081 1.00 0.00 C ATOM 565 CZ TYR A 37 -2.303 13.816 -0.154 1.00 0.00 C ATOM 566 OH TYR A 37 -1.343 14.524 0.532 1.00 0.00 O ATOM 0 H TYR A 37 -7.897 10.908 -1.434 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.511 13.343 -2.374 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.410 10.618 -1.835 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.899 11.398 -3.319 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.935 14.303 -2.193 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.304 10.657 -0.709 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.228 15.566 -0.959 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.590 11.916 0.512 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.716 14.927 -0.105 1.00 0.00 H new ATOM 576 N PRO A 38 -7.167 12.829 -4.762 1.00 0.00 N ATOM 577 CA PRO A 38 -7.753 12.632 -6.092 1.00 0.00 C ATOM 578 C PRO A 38 -7.086 11.508 -6.882 1.00 0.00 C ATOM 579 O PRO A 38 -7.764 10.639 -7.430 1.00 0.00 O ATOM 580 CB PRO A 38 -7.522 13.976 -6.788 1.00 0.00 C ATOM 581 CG PRO A 38 -6.360 14.580 -6.080 1.00 0.00 C ATOM 582 CD PRO A 38 -6.462 14.120 -4.654 1.00 0.00 C ATOM 0 HA PRO A 38 -8.801 12.339 -6.023 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.311 13.840 -7.849 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.403 14.614 -6.717 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.420 14.258 -6.528 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.387 15.668 -6.142 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.479 14.004 -4.198 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.016 14.831 -4.041 1.00 0.00 H new ATOM 590 N GLU A 39 -5.759 11.530 -6.942 1.00 0.00 N ATOM 591 CA GLU A 39 -5.013 10.513 -7.674 1.00 0.00 C ATOM 592 C GLU A 39 -5.268 9.125 -7.096 1.00 0.00 C ATOM 593 O GLU A 39 -5.588 8.188 -7.824 1.00 0.00 O ATOM 594 CB GLU A 39 -3.516 10.822 -7.643 1.00 0.00 C ATOM 595 CG GLU A 39 -3.163 12.188 -8.209 1.00 0.00 C ATOM 596 CD GLU A 39 -2.833 12.138 -9.688 1.00 0.00 C ATOM 597 OE1 GLU A 39 -2.264 11.120 -10.135 1.00 0.00 O ATOM 598 OE2 GLU A 39 -3.145 13.116 -10.399 1.00 0.00 O ATOM 0 H GLU A 39 -5.179 12.239 -6.494 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.358 10.525 -8.708 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.163 10.763 -6.614 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.984 10.056 -8.207 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.998 12.870 -8.050 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.311 12.594 -7.664 1.00 0.00 H new ATOM 605 N ILE A 40 -5.120 9.002 -5.783 1.00 0.00 N ATOM 606 CA ILE A 40 -5.331 7.727 -5.107 1.00 0.00 C ATOM 607 C ILE A 40 -6.721 7.173 -5.394 1.00 0.00 C ATOM 608 O ILE A 40 -6.867 6.018 -5.798 1.00 0.00 O ATOM 609 CB ILE A 40 -5.142 7.860 -3.584 1.00 0.00 C ATOM 610 CG1 ILE A 40 -3.883 8.679 -3.277 1.00 0.00 C ATOM 611 CG2 ILE A 40 -5.071 6.479 -2.946 1.00 0.00 C ATOM 612 CD1 ILE A 40 -3.391 8.531 -1.856 1.00 0.00 C ATOM 0 H ILE A 40 -4.855 9.769 -5.165 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.584 7.036 -5.497 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.997 8.387 -3.160 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.089 8.377 -3.960 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.089 9.731 -3.473 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.937 6.582 -1.869 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.995 5.938 -3.147 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.229 5.928 -3.365 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.498 9.140 -1.715 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.168 8.861 -1.166 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.152 7.486 -1.661 1.00 0.00 H new ATOM 624 N ASP A 41 -7.739 8.001 -5.189 1.00 0.00 N ATOM 625 CA ASP A 41 -9.116 7.590 -5.436 1.00 0.00 C ATOM 626 C ASP A 41 -9.301 7.178 -6.894 1.00 0.00 C ATOM 627 O ASP A 41 -10.130 6.327 -7.212 1.00 0.00 O ATOM 628 CB ASP A 41 -10.080 8.726 -5.088 1.00 0.00 C ATOM 629 CG ASP A 41 -11.533 8.296 -5.160 1.00 0.00 C ATOM 630 OD1 ASP A 41 -11.794 7.075 -5.106 1.00 0.00 O ATOM 631 OD2 ASP A 41 -12.409 9.180 -5.268 1.00 0.00 O ATOM 0 H ASP A 41 -7.637 8.959 -4.853 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.336 6.732 -4.801 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.861 9.089 -4.084 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.917 9.559 -5.771 1.00 0.00 H new ATOM 636 N SER A 42 -8.517 7.795 -7.773 1.00 0.00 N ATOM 637 CA SER A 42 -8.581 7.507 -9.201 1.00 0.00 C ATOM 638 C SER A 42 -7.471 6.551 -9.627 1.00 0.00 C ATOM 639 O SER A 42 -7.315 6.262 -10.813 1.00 0.00 O ATOM 640 CB SER A 42 -8.461 8.805 -9.999 1.00 0.00 C ATOM 641 OG SER A 42 -9.719 9.441 -10.139 1.00 0.00 O ATOM 0 H SER A 42 -7.826 8.501 -7.519 1.00 0.00 H new ATOM 0 HA SER A 42 -9.541 7.032 -9.402 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.764 9.478 -9.500 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.047 8.592 -10.985 1.00 0.00 H new ATOM 0 HG SER A 42 -9.612 10.269 -10.652 1.00 0.00 H new ATOM 647 N LYS A 43 -6.685 6.081 -8.664 1.00 0.00 N ATOM 648 CA LYS A 43 -5.576 5.186 -8.960 1.00 0.00 C ATOM 649 C LYS A 43 -5.685 3.872 -8.198 1.00 0.00 C ATOM 650 O LYS A 43 -5.920 2.817 -8.790 1.00 0.00 O ATOM 651 CB LYS A 43 -4.257 5.877 -8.620 1.00 0.00 C ATOM 652 CG LYS A 43 -3.880 6.968 -9.608 1.00 0.00 C ATOM 653 CD LYS A 43 -2.589 6.656 -10.342 1.00 0.00 C ATOM 654 CE LYS A 43 -2.864 6.116 -11.737 1.00 0.00 C ATOM 655 NZ LYS A 43 -1.721 6.346 -12.661 1.00 0.00 N ATOM 0 H LYS A 43 -6.796 6.305 -7.675 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.611 4.951 -10.024 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.327 6.309 -7.622 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.462 5.132 -8.590 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.686 7.095 -10.331 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.775 7.915 -9.078 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.981 7.558 -10.412 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.012 5.926 -9.774 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.072 5.048 -11.677 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.757 6.593 -12.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.733 5.628 -13.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.802 7.292 -13.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.828 6.279 -12.132 1.00 0.00 H new ATOM 669 N LEU A 44 -5.487 3.935 -6.888 1.00 0.00 N ATOM 670 CA LEU A 44 -5.534 2.743 -6.051 1.00 0.00 C ATOM 671 C LEU A 44 -6.949 2.197 -5.903 1.00 0.00 C ATOM 672 O LEU A 44 -7.931 2.931 -6.008 1.00 0.00 O ATOM 673 CB LEU A 44 -4.943 3.044 -4.673 1.00 0.00 C ATOM 674 CG LEU A 44 -3.454 3.400 -4.668 1.00 0.00 C ATOM 675 CD1 LEU A 44 -2.886 3.274 -3.266 1.00 0.00 C ATOM 676 CD2 LEU A 44 -2.685 2.510 -5.638 1.00 0.00 C ATOM 0 H LEU A 44 -5.292 4.799 -6.382 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.938 1.976 -6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.499 3.869 -4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.095 2.176 -4.032 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.346 4.434 -4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.827 3.530 -3.278 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.416 3.952 -2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.007 2.249 -2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.629 2.779 -5.619 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.799 1.467 -5.343 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.077 2.647 -6.646 1.00 0.00 H new ATOM 688 N GLN A 45 -7.032 0.894 -5.652 1.00 0.00 N ATOM 689 CA GLN A 45 -8.308 0.215 -5.478 1.00 0.00 C ATOM 690 C GLN A 45 -8.132 -1.025 -4.608 1.00 0.00 C ATOM 691 O GLN A 45 -7.169 -1.774 -4.766 1.00 0.00 O ATOM 692 CB GLN A 45 -8.896 -0.173 -6.837 1.00 0.00 C ATOM 693 CG GLN A 45 -10.389 0.087 -6.950 1.00 0.00 C ATOM 694 CD GLN A 45 -10.766 0.766 -8.252 1.00 0.00 C ATOM 695 OE1 GLN A 45 -10.945 0.112 -9.279 1.00 0.00 O ATOM 696 NE2 GLN A 45 -10.888 2.089 -8.214 1.00 0.00 N ATOM 0 H GLN A 45 -6.220 0.283 -5.564 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.998 0.897 -4.982 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.379 0.382 -7.619 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.705 -1.231 -7.018 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.926 -0.858 -6.869 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.710 0.709 -6.114 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.730 2.591 -7.340 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.139 2.602 -9.059 1.00 0.00 H new ATOM 705 N ARG A 46 -9.064 -1.237 -3.684 1.00 0.00 N ATOM 706 CA ARG A 46 -9.009 -2.383 -2.782 1.00 0.00 C ATOM 707 C ARG A 46 -8.741 -3.680 -3.543 1.00 0.00 C ATOM 708 O ARG A 46 -9.570 -4.131 -4.333 1.00 0.00 O ATOM 709 CB ARG A 46 -10.317 -2.500 -1.997 1.00 0.00 C ATOM 710 CG ARG A 46 -10.464 -1.454 -0.905 1.00 0.00 C ATOM 711 CD ARG A 46 -11.926 -1.149 -0.616 1.00 0.00 C ATOM 712 NE ARG A 46 -12.614 -2.283 -0.003 1.00 0.00 N ATOM 713 CZ ARG A 46 -13.364 -3.156 -0.675 1.00 0.00 C ATOM 714 NH1 ARG A 46 -13.528 -3.039 -1.987 1.00 0.00 N ATOM 715 NH2 ARG A 46 -13.952 -4.154 -0.031 1.00 0.00 N ATOM 0 H ARG A 46 -9.869 -0.628 -3.540 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.184 -2.222 -2.088 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.155 -2.413 -2.688 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.375 -3.492 -1.549 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.978 -1.806 0.005 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.953 -0.539 -1.205 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.992 -0.285 0.046 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.430 -0.879 -1.544 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.514 -2.415 1.003 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.078 -2.275 -2.491 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.104 -3.713 -2.491 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.830 -4.253 0.977 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.526 -4.823 -0.543 1.00 0.00 H new ATOM 729 N GLY A 47 -7.579 -4.275 -3.291 1.00 0.00 N ATOM 730 CA GLY A 47 -7.220 -5.518 -3.953 1.00 0.00 C ATOM 731 C GLY A 47 -5.888 -5.445 -4.681 1.00 0.00 C ATOM 732 O GLY A 47 -5.519 -6.375 -5.399 1.00 0.00 O ATOM 0 H GLY A 47 -6.879 -3.919 -2.640 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.179 -6.318 -3.213 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.002 -5.782 -4.665 1.00 0.00 H new ATOM 736 N ASP A 48 -5.165 -4.340 -4.506 1.00 0.00 N ATOM 737 CA ASP A 48 -3.876 -4.161 -5.159 1.00 0.00 C ATOM 738 C ASP A 48 -2.731 -4.304 -4.162 1.00 0.00 C ATOM 739 O ASP A 48 -2.940 -4.249 -2.951 1.00 0.00 O ATOM 740 CB ASP A 48 -3.820 -2.789 -5.827 1.00 0.00 C ATOM 741 CG ASP A 48 -4.942 -2.586 -6.824 1.00 0.00 C ATOM 742 OD1 ASP A 48 -5.514 -3.594 -7.289 1.00 0.00 O ATOM 743 OD2 ASP A 48 -5.249 -1.417 -7.142 1.00 0.00 O ATOM 0 H ASP A 48 -5.452 -3.558 -3.918 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.765 -4.937 -5.916 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.872 -2.013 -5.063 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.862 -2.673 -6.334 1.00 0.00 H new ATOM 748 N ILE A 49 -1.520 -4.490 -4.680 1.00 0.00 N ATOM 749 CA ILE A 49 -0.337 -4.642 -3.838 1.00 0.00 C ATOM 750 C ILE A 49 0.793 -3.739 -4.315 1.00 0.00 C ATOM 751 O ILE A 49 1.259 -3.863 -5.448 1.00 0.00 O ATOM 752 CB ILE A 49 0.173 -6.097 -3.829 1.00 0.00 C ATOM 753 CG1 ILE A 49 -0.993 -7.086 -3.728 1.00 0.00 C ATOM 754 CG2 ILE A 49 1.160 -6.306 -2.691 1.00 0.00 C ATOM 755 CD1 ILE A 49 -1.078 -8.037 -4.900 1.00 0.00 C ATOM 0 H ILE A 49 -1.332 -4.539 -5.681 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.637 -4.360 -2.829 1.00 0.00 H new ATOM 0 HB ILE A 49 0.689 -6.284 -4.771 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.892 -7.663 -2.809 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.927 -6.529 -3.654 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.511 -7.338 -2.698 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.009 -5.634 -2.817 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.669 -6.096 -1.741 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.926 -8.709 -4.763 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.210 -7.469 -5.821 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.159 -8.620 -4.963 1.00 0.00 H new ATOM 767 N ILE A 50 1.242 -2.838 -3.447 1.00 0.00 N ATOM 768 CA ILE A 50 2.329 -1.933 -3.798 1.00 0.00 C ATOM 769 C ILE A 50 3.658 -2.671 -3.795 1.00 0.00 C ATOM 770 O ILE A 50 4.252 -2.898 -2.742 1.00 0.00 O ATOM 771 CB ILE A 50 2.414 -0.740 -2.827 1.00 0.00 C ATOM 772 CG1 ILE A 50 1.052 -0.064 -2.694 1.00 0.00 C ATOM 773 CG2 ILE A 50 3.461 0.258 -3.305 1.00 0.00 C ATOM 774 CD1 ILE A 50 0.785 0.472 -1.308 1.00 0.00 C ATOM 0 H ILE A 50 0.873 -2.716 -2.504 1.00 0.00 H new ATOM 0 HA ILE A 50 2.119 -1.553 -4.798 1.00 0.00 H new ATOM 0 HB ILE A 50 2.712 -1.110 -1.846 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.989 0.754 -3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.272 -0.779 -2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.510 1.095 -2.609 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.434 -0.231 -3.354 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.189 0.624 -4.295 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.199 0.940 -1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.817 -0.347 -0.589 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.544 1.210 -1.051 1.00 0.00 H new ATOM 786 N THR A 51 4.121 -3.039 -4.982 1.00 0.00 N ATOM 787 CA THR A 51 5.384 -3.755 -5.123 1.00 0.00 C ATOM 788 C THR A 51 6.541 -2.791 -5.379 1.00 0.00 C ATOM 789 O THR A 51 7.707 -3.184 -5.339 1.00 0.00 O ATOM 790 CB THR A 51 5.287 -4.780 -6.255 1.00 0.00 C ATOM 791 OG1 THR A 51 5.349 -4.141 -7.517 1.00 0.00 O ATOM 792 CG2 THR A 51 4.016 -5.600 -6.214 1.00 0.00 C ATOM 0 H THR A 51 3.641 -2.854 -5.863 1.00 0.00 H new ATOM 0 HA THR A 51 5.582 -4.277 -4.187 1.00 0.00 H new ATOM 0 HB THR A 51 6.135 -5.450 -6.111 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.287 -4.813 -8.227 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.012 -6.306 -7.044 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.966 -6.146 -5.272 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.153 -4.939 -6.296 1.00 0.00 H new ATOM 800 N LYS A 52 6.213 -1.527 -5.628 1.00 0.00 N ATOM 801 CA LYS A 52 7.220 -0.503 -5.876 1.00 0.00 C ATOM 802 C LYS A 52 6.831 0.791 -5.173 1.00 0.00 C ATOM 803 O LYS A 52 5.647 1.108 -5.051 1.00 0.00 O ATOM 804 CB LYS A 52 7.386 -0.259 -7.378 1.00 0.00 C ATOM 805 CG LYS A 52 8.727 -0.725 -7.926 1.00 0.00 C ATOM 806 CD LYS A 52 9.506 0.421 -8.552 1.00 0.00 C ATOM 807 CE LYS A 52 10.637 -0.087 -9.430 1.00 0.00 C ATOM 808 NZ LYS A 52 10.957 0.865 -10.529 1.00 0.00 N ATOM 0 H LYS A 52 5.252 -1.187 -5.663 1.00 0.00 H new ATOM 0 HA LYS A 52 8.173 -0.852 -5.478 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.586 -0.773 -7.912 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.271 0.806 -7.580 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.315 -1.169 -7.122 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.565 -1.505 -8.670 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.832 1.038 -9.146 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.912 1.058 -7.766 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.526 -0.249 -8.820 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.361 -1.052 -9.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.733 0.482 -11.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.117 1.000 -11.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.245 1.779 -10.124 1.00 0.00 H new ATOM 822 N PHE A 53 7.826 1.531 -4.701 1.00 0.00 N ATOM 823 CA PHE A 53 7.567 2.781 -3.998 1.00 0.00 C ATOM 824 C PHE A 53 8.740 3.748 -4.145 1.00 0.00 C ATOM 825 O PHE A 53 9.827 3.505 -3.624 1.00 0.00 O ATOM 826 CB PHE A 53 7.297 2.489 -2.521 1.00 0.00 C ATOM 827 CG PHE A 53 7.102 3.717 -1.681 1.00 0.00 C ATOM 828 CD1 PHE A 53 8.191 4.424 -1.203 1.00 0.00 C ATOM 829 CD2 PHE A 53 5.827 4.156 -1.365 1.00 0.00 C ATOM 830 CE1 PHE A 53 8.014 5.550 -0.423 1.00 0.00 C ATOM 831 CE2 PHE A 53 5.643 5.282 -0.587 1.00 0.00 C ATOM 832 CZ PHE A 53 6.738 5.980 -0.116 1.00 0.00 C ATOM 0 H PHE A 53 8.813 1.290 -4.791 1.00 0.00 H new ATOM 0 HA PHE A 53 6.690 3.255 -4.439 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.409 1.862 -2.442 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.130 1.914 -2.117 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.190 4.092 -1.442 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.968 3.612 -1.731 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.872 6.093 -0.054 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.644 5.616 -0.347 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.596 6.861 0.492 1.00 0.00 H new ATOM 842 N ASN A 54 8.506 4.845 -4.860 1.00 0.00 N ATOM 843 CA ASN A 54 9.538 5.853 -5.079 1.00 0.00 C ATOM 844 C ASN A 54 10.773 5.234 -5.729 1.00 0.00 C ATOM 845 O ASN A 54 11.905 5.531 -5.347 1.00 0.00 O ATOM 846 CB ASN A 54 9.920 6.517 -3.753 1.00 0.00 C ATOM 847 CG ASN A 54 9.130 7.785 -3.494 1.00 0.00 C ATOM 848 OD1 ASN A 54 9.661 8.891 -3.595 1.00 0.00 O ATOM 849 ND2 ASN A 54 7.855 7.631 -3.158 1.00 0.00 N ATOM 0 H ASN A 54 7.610 5.058 -5.298 1.00 0.00 H new ATOM 0 HA ASN A 54 9.137 6.610 -5.753 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.753 5.815 -2.936 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.985 6.750 -3.760 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.274 8.449 -2.972 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.456 6.695 -3.086 1.00 0.00 H new ATOM 856 N GLY A 55 10.546 4.372 -6.713 1.00 0.00 N ATOM 857 CA GLY A 55 11.647 3.723 -7.398 1.00 0.00 C ATOM 858 C GLY A 55 12.356 2.709 -6.522 1.00 0.00 C ATOM 859 O GLY A 55 13.518 2.376 -6.759 1.00 0.00 O ATOM 0 H GLY A 55 9.619 4.111 -7.049 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.272 3.227 -8.293 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.362 4.477 -7.727 1.00 0.00 H new ATOM 863 N ASP A 56 11.656 2.214 -5.506 1.00 0.00 N ATOM 864 CA ASP A 56 12.222 1.233 -4.590 1.00 0.00 C ATOM 865 C ASP A 56 11.385 -0.042 -4.579 1.00 0.00 C ATOM 866 O ASP A 56 10.273 -0.062 -4.051 1.00 0.00 O ATOM 867 CB ASP A 56 12.310 1.812 -3.177 1.00 0.00 C ATOM 868 CG ASP A 56 13.389 1.146 -2.346 1.00 0.00 C ATOM 869 OD1 ASP A 56 14.584 1.365 -2.640 1.00 0.00 O ATOM 870 OD2 ASP A 56 13.040 0.407 -1.402 1.00 0.00 O ATOM 0 H ASP A 56 10.693 2.478 -5.297 1.00 0.00 H new ATOM 0 HA ASP A 56 13.226 0.986 -4.935 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.510 2.882 -3.237 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.348 1.695 -2.679 1.00 0.00 H new ATOM 875 N ALA A 57 11.926 -1.102 -5.167 1.00 0.00 N ATOM 876 CA ALA A 57 11.229 -2.381 -5.230 1.00 0.00 C ATOM 877 C ALA A 57 10.832 -2.865 -3.839 1.00 0.00 C ATOM 878 O ALA A 57 11.680 -3.286 -3.052 1.00 0.00 O ATOM 879 CB ALA A 57 12.098 -3.420 -5.922 1.00 0.00 C ATOM 0 H ALA A 57 12.846 -1.101 -5.607 1.00 0.00 H new ATOM 0 HA ALA A 57 10.316 -2.239 -5.809 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.566 -4.371 -5.963 1.00 0.00 H new ATOM 0 HB2 ALA A 57 12.325 -3.088 -6.935 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.026 -3.547 -5.365 1.00 0.00 H new ATOM 885 N LEU A 58 9.536 -2.807 -3.545 1.00 0.00 N ATOM 886 CA LEU A 58 9.025 -3.247 -2.253 1.00 0.00 C ATOM 887 C LEU A 58 8.871 -4.769 -2.210 1.00 0.00 C ATOM 888 O LEU A 58 8.440 -5.327 -1.200 1.00 0.00 O ATOM 889 CB LEU A 58 7.679 -2.575 -1.956 1.00 0.00 C ATOM 890 CG LEU A 58 7.638 -1.063 -2.197 1.00 0.00 C ATOM 891 CD1 LEU A 58 6.212 -0.538 -2.085 1.00 0.00 C ATOM 892 CD2 LEU A 58 8.552 -0.338 -1.217 1.00 0.00 C ATOM 0 H LEU A 58 8.822 -2.459 -4.185 1.00 0.00 H new ATOM 0 HA LEU A 58 9.746 -2.955 -1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.912 -3.046 -2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.416 -2.768 -0.916 1.00 0.00 H new ATOM 0 HG LEU A 58 7.996 -0.870 -3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.206 0.538 -2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.584 -1.030 -2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.825 -0.746 -1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.509 0.735 -1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.226 -0.541 -0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.576 -0.688 -1.347 1.00 0.00 H new ATOM 904 N GLU A 59 9.225 -5.436 -3.308 1.00 0.00 N ATOM 905 CA GLU A 59 9.126 -6.888 -3.389 1.00 0.00 C ATOM 906 C GLU A 59 10.155 -7.559 -2.487 1.00 0.00 C ATOM 907 O GLU A 59 11.268 -7.061 -2.317 1.00 0.00 O ATOM 908 CB GLU A 59 9.321 -7.353 -4.835 1.00 0.00 C ATOM 909 CG GLU A 59 8.802 -8.757 -5.098 1.00 0.00 C ATOM 910 CD GLU A 59 9.491 -9.422 -6.272 1.00 0.00 C ATOM 911 OE1 GLU A 59 9.241 -9.004 -7.423 1.00 0.00 O ATOM 912 OE2 GLU A 59 10.282 -10.362 -6.042 1.00 0.00 O ATOM 0 H GLU A 59 9.583 -4.991 -4.153 1.00 0.00 H new ATOM 0 HA GLU A 59 8.131 -7.176 -3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.815 -6.656 -5.503 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.382 -7.315 -5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.944 -9.366 -4.205 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.729 -8.714 -5.287 1.00 0.00 H new ATOM 919 N GLY A 60 9.774 -8.694 -1.911 1.00 0.00 N ATOM 920 CA GLY A 60 10.672 -9.420 -1.033 1.00 0.00 C ATOM 921 C GLY A 60 10.995 -8.656 0.237 1.00 0.00 C ATOM 922 O GLY A 60 11.983 -8.950 0.909 1.00 0.00 O ATOM 0 H GLY A 60 8.858 -9.124 -2.037 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.222 -10.378 -0.771 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.597 -9.638 -1.566 1.00 0.00 H new ATOM 926 N LEU A 61 10.162 -7.673 0.570 1.00 0.00 N ATOM 927 CA LEU A 61 10.370 -6.871 1.771 1.00 0.00 C ATOM 928 C LEU A 61 9.178 -6.989 2.719 1.00 0.00 C ATOM 929 O LEU A 61 8.029 -7.035 2.278 1.00 0.00 O ATOM 930 CB LEU A 61 10.592 -5.404 1.395 1.00 0.00 C ATOM 931 CG LEU A 61 11.967 -5.088 0.805 1.00 0.00 C ATOM 932 CD1 LEU A 61 12.105 -3.597 0.538 1.00 0.00 C ATOM 933 CD2 LEU A 61 13.070 -5.567 1.736 1.00 0.00 C ATOM 0 H LEU A 61 9.339 -7.414 0.026 1.00 0.00 H new ATOM 0 HA LEU A 61 11.256 -7.249 2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.828 -5.110 0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.445 -4.791 2.284 1.00 0.00 H new ATOM 0 HG LEU A 61 12.063 -5.617 -0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.090 -3.392 0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.337 -3.281 -0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.987 -3.048 1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.041 -5.334 1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.975 -5.067 2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.985 -6.645 1.877 1.00 0.00 H new ATOM 945 N PRO A 62 9.433 -7.041 4.040 1.00 0.00 N ATOM 946 CA PRO A 62 8.369 -7.155 5.045 1.00 0.00 C ATOM 947 C PRO A 62 7.365 -6.010 4.956 1.00 0.00 C ATOM 948 O PRO A 62 7.250 -5.351 3.922 1.00 0.00 O ATOM 949 CB PRO A 62 9.122 -7.100 6.380 1.00 0.00 C ATOM 950 CG PRO A 62 10.521 -7.490 6.051 1.00 0.00 C ATOM 951 CD PRO A 62 10.771 -6.994 4.657 1.00 0.00 C ATOM 0 HA PRO A 62 7.783 -8.064 4.911 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.083 -6.101 6.814 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.683 -7.782 7.109 1.00 0.00 H new ATOM 0 HG2 PRO A 62 11.225 -7.047 6.755 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.649 -8.571 6.109 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.180 -5.984 4.656 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.482 -7.626 4.126 1.00 0.00 H new ATOM 959 N PHE A 63 6.644 -5.773 6.047 1.00 0.00 N ATOM 960 CA PHE A 63 5.654 -4.703 6.092 1.00 0.00 C ATOM 961 C PHE A 63 6.164 -3.523 6.913 1.00 0.00 C ATOM 962 O PHE A 63 5.719 -2.391 6.729 1.00 0.00 O ATOM 963 CB PHE A 63 4.338 -5.214 6.680 1.00 0.00 C ATOM 964 CG PHE A 63 3.231 -4.198 6.634 1.00 0.00 C ATOM 965 CD1 PHE A 63 2.992 -3.466 5.483 1.00 0.00 C ATOM 966 CD2 PHE A 63 2.432 -3.977 7.745 1.00 0.00 C ATOM 967 CE1 PHE A 63 1.975 -2.531 5.439 1.00 0.00 C ATOM 968 CE2 PHE A 63 1.412 -3.044 7.706 1.00 0.00 C ATOM 969 CZ PHE A 63 1.184 -2.320 6.553 1.00 0.00 C ATOM 0 H PHE A 63 6.727 -6.307 6.912 1.00 0.00 H new ATOM 0 HA PHE A 63 5.479 -4.366 5.070 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.027 -6.105 6.135 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.503 -5.515 7.715 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.607 -3.627 4.610 1.00 0.00 H new ATOM 0 HD2 PHE A 63 2.608 -4.539 8.650 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.799 -1.966 4.536 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.794 -2.882 8.577 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.389 -1.590 6.521 1.00 0.00 H new ATOM 979 N GLN A 64 7.101 -3.793 7.818 1.00 0.00 N ATOM 980 CA GLN A 64 7.670 -2.748 8.662 1.00 0.00 C ATOM 981 C GLN A 64 8.257 -1.630 7.807 1.00 0.00 C ATOM 982 O GLN A 64 7.983 -0.450 8.031 1.00 0.00 O ATOM 983 CB GLN A 64 8.755 -3.328 9.572 1.00 0.00 C ATOM 984 CG GLN A 64 8.307 -4.554 10.350 1.00 0.00 C ATOM 985 CD GLN A 64 7.124 -4.271 11.255 1.00 0.00 C ATOM 986 OE1 GLN A 64 6.036 -4.812 11.062 1.00 0.00 O ATOM 987 NE2 GLN A 64 7.333 -3.419 12.252 1.00 0.00 N ATOM 0 H GLN A 64 7.481 -4.725 7.985 1.00 0.00 H new ATOM 0 HA GLN A 64 6.871 -2.337 9.280 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.623 -3.590 8.967 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.076 -2.560 10.275 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.043 -5.347 9.650 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.139 -4.923 10.950 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.252 -2.993 12.375 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.575 -3.190 12.895 1.00 0.00 H new ATOM 996 N VAL A 65 9.062 -2.015 6.823 1.00 0.00 N ATOM 997 CA VAL A 65 9.688 -1.051 5.927 1.00 0.00 C ATOM 998 C VAL A 65 8.646 -0.358 5.056 1.00 0.00 C ATOM 999 O VAL A 65 8.669 0.861 4.894 1.00 0.00 O ATOM 1000 CB VAL A 65 10.740 -1.721 5.024 1.00 0.00 C ATOM 1001 CG1 VAL A 65 11.930 -2.189 5.847 1.00 0.00 C ATOM 1002 CG2 VAL A 65 10.128 -2.882 4.252 1.00 0.00 C ATOM 0 H VAL A 65 9.296 -2.988 6.626 1.00 0.00 H new ATOM 0 HA VAL A 65 10.184 -0.310 6.554 1.00 0.00 H new ATOM 0 HB VAL A 65 11.092 -0.983 4.303 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.663 -2.660 5.192 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.386 -1.334 6.346 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.595 -2.909 6.594 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.889 -3.341 3.621 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.744 -3.623 4.953 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.313 -2.515 3.629 1.00 0.00 H new ATOM 1012 N CYS A 66 7.728 -1.145 4.500 1.00 0.00 N ATOM 1013 CA CYS A 66 6.672 -0.605 3.649 1.00 0.00 C ATOM 1014 C CYS A 66 5.865 0.451 4.396 1.00 0.00 C ATOM 1015 O CYS A 66 5.646 1.553 3.896 1.00 0.00 O ATOM 1016 CB CYS A 66 5.748 -1.728 3.174 1.00 0.00 C ATOM 1017 SG CYS A 66 6.461 -2.772 1.880 1.00 0.00 S ATOM 0 H CYS A 66 7.694 -2.157 4.623 1.00 0.00 H new ATOM 0 HA CYS A 66 7.138 -0.137 2.782 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.485 -2.353 4.027 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.822 -1.290 2.803 1.00 0.00 H new ATOM 0 HG CYS A 66 6.872 -3.890 2.402 1.00 0.00 H new ATOM 1023 N TYR A 67 5.431 0.105 5.601 1.00 0.00 N ATOM 1024 CA TYR A 67 4.654 1.019 6.426 1.00 0.00 C ATOM 1025 C TYR A 67 5.479 2.249 6.799 1.00 0.00 C ATOM 1026 O TYR A 67 4.938 3.339 6.986 1.00 0.00 O ATOM 1027 CB TYR A 67 4.177 0.311 7.693 1.00 0.00 C ATOM 1028 CG TYR A 67 3.089 1.057 8.432 1.00 0.00 C ATOM 1029 CD1 TYR A 67 1.859 1.298 7.834 1.00 0.00 C ATOM 1030 CD2 TYR A 67 3.293 1.522 9.725 1.00 0.00 C ATOM 1031 CE1 TYR A 67 0.861 1.981 8.505 1.00 0.00 C ATOM 1032 CE2 TYR A 67 2.300 2.203 10.403 1.00 0.00 C ATOM 1033 CZ TYR A 67 1.087 2.431 9.788 1.00 0.00 C ATOM 1034 OH TYR A 67 0.097 3.111 10.460 1.00 0.00 O ATOM 0 H TYR A 67 5.605 -0.804 6.029 1.00 0.00 H new ATOM 0 HA TYR A 67 3.788 1.344 5.850 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.810 -0.681 7.428 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.026 0.169 8.361 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.679 0.946 6.829 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.243 1.348 10.208 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.090 2.161 8.026 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.473 2.555 11.409 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.324 3.757 9.856 1.00 0.00 H new ATOM 1044 N ALA A 68 6.791 2.060 6.923 1.00 0.00 N ATOM 1045 CA ALA A 68 7.693 3.146 7.296 1.00 0.00 C ATOM 1046 C ALA A 68 7.848 4.179 6.183 1.00 0.00 C ATOM 1047 O ALA A 68 7.699 5.378 6.420 1.00 0.00 O ATOM 1048 CB ALA A 68 9.053 2.583 7.674 1.00 0.00 C ATOM 0 H ALA A 68 7.253 1.164 6.770 1.00 0.00 H new ATOM 0 HA ALA A 68 7.252 3.655 8.153 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.720 3.399 7.951 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.943 1.902 8.518 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.472 2.044 6.825 1.00 0.00 H new ATOM 1054 N LEU A 69 8.154 3.722 4.973 1.00 0.00 N ATOM 1055 CA LEU A 69 8.329 4.636 3.848 1.00 0.00 C ATOM 1056 C LEU A 69 7.013 5.319 3.506 1.00 0.00 C ATOM 1057 O LEU A 69 6.975 6.523 3.250 1.00 0.00 O ATOM 1058 CB LEU A 69 8.881 3.906 2.620 1.00 0.00 C ATOM 1059 CG LEU A 69 8.262 2.535 2.342 1.00 0.00 C ATOM 1060 CD1 LEU A 69 7.488 2.551 1.032 1.00 0.00 C ATOM 1061 CD2 LEU A 69 9.342 1.462 2.310 1.00 0.00 C ATOM 0 H LEU A 69 8.285 2.736 4.747 1.00 0.00 H new ATOM 0 HA LEU A 69 9.053 5.394 4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.732 4.538 1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.957 3.782 2.744 1.00 0.00 H new ATOM 0 HG LEU A 69 7.566 2.302 3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.056 1.567 0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.691 3.292 1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.162 2.806 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.886 0.492 2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.061 1.693 1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.854 1.432 3.272 1.00 0.00 H new ATOM 1073 N PHE A 70 5.931 4.549 3.517 1.00 0.00 N ATOM 1074 CA PHE A 70 4.614 5.095 3.222 1.00 0.00 C ATOM 1075 C PHE A 70 4.229 6.123 4.280 1.00 0.00 C ATOM 1076 O PHE A 70 3.547 7.105 3.989 1.00 0.00 O ATOM 1077 CB PHE A 70 3.570 3.977 3.159 1.00 0.00 C ATOM 1078 CG PHE A 70 3.345 3.453 1.770 1.00 0.00 C ATOM 1079 CD1 PHE A 70 2.640 4.200 0.840 1.00 0.00 C ATOM 1080 CD2 PHE A 70 3.845 2.217 1.389 1.00 0.00 C ATOM 1081 CE1 PHE A 70 2.436 3.726 -0.441 1.00 0.00 C ATOM 1082 CE2 PHE A 70 3.643 1.736 0.111 1.00 0.00 C ATOM 1083 CZ PHE A 70 2.938 2.492 -0.806 1.00 0.00 C ATOM 0 H PHE A 70 5.940 3.551 3.726 1.00 0.00 H new ATOM 0 HA PHE A 70 4.648 5.585 2.249 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.887 3.156 3.803 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.626 4.348 3.557 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.245 5.165 1.120 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.399 1.623 2.101 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.885 4.319 -1.156 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.035 0.770 -0.172 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.780 2.118 -1.807 1.00 0.00 H new ATOM 1093 N LYS A 71 4.688 5.893 5.509 1.00 0.00 N ATOM 1094 CA LYS A 71 4.411 6.805 6.611 1.00 0.00 C ATOM 1095 C LYS A 71 5.394 7.970 6.594 1.00 0.00 C ATOM 1096 O LYS A 71 5.067 9.081 7.012 1.00 0.00 O ATOM 1097 CB LYS A 71 4.502 6.069 7.949 1.00 0.00 C ATOM 1098 CG LYS A 71 3.210 5.381 8.355 1.00 0.00 C ATOM 1099 CD LYS A 71 3.095 5.258 9.866 1.00 0.00 C ATOM 1100 CE LYS A 71 2.947 6.620 10.527 1.00 0.00 C ATOM 1101 NZ LYS A 71 3.819 6.751 11.727 1.00 0.00 N ATOM 0 H LYS A 71 5.253 5.083 5.764 1.00 0.00 H new ATOM 0 HA LYS A 71 3.400 7.193 6.490 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.297 5.325 7.892 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.785 6.779 8.726 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.360 5.944 7.969 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.167 4.390 7.904 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.236 4.635 10.117 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.979 4.756 10.259 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.197 7.401 9.809 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.907 6.773 10.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.689 7.693 12.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.564 6.022 12.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.814 6.630 11.448 1.00 0.00 H new ATOM 1115 N GLY A 72 6.602 7.705 6.105 1.00 0.00 N ATOM 1116 CA GLY A 72 7.621 8.736 6.037 1.00 0.00 C ATOM 1117 C GLY A 72 7.637 9.451 4.698 1.00 0.00 C ATOM 1118 O GLY A 72 8.613 10.119 4.357 1.00 0.00 O ATOM 0 H GLY A 72 6.893 6.793 5.754 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.451 9.463 6.831 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.598 8.289 6.218 1.00 0.00 H new ATOM 1122 N ALA A 73 6.553 9.315 3.940 1.00 0.00 N ATOM 1123 CA ALA A 73 6.444 9.958 2.636 1.00 0.00 C ATOM 1124 C ALA A 73 6.082 11.431 2.792 1.00 0.00 C ATOM 1125 O ALA A 73 5.218 11.785 3.592 1.00 0.00 O ATOM 1126 CB ALA A 73 5.409 9.242 1.784 1.00 0.00 C ATOM 0 H ALA A 73 5.737 8.764 4.207 1.00 0.00 H new ATOM 0 HA ALA A 73 7.411 9.896 2.136 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.336 9.731 0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.707 8.203 1.646 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.440 9.278 2.282 1.00 0.00 H new ATOM 1132 N ASN A 74 6.750 12.287 2.027 1.00 0.00 N ATOM 1133 CA ASN A 74 6.494 13.722 2.081 1.00 0.00 C ATOM 1134 C ASN A 74 7.210 14.440 0.946 1.00 0.00 C ATOM 1135 O ASN A 74 8.402 14.732 1.030 1.00 0.00 O ATOM 1136 CB ASN A 74 6.930 14.305 3.426 1.00 0.00 C ATOM 1137 CG ASN A 74 8.329 13.878 3.818 1.00 0.00 C ATOM 1138 OD1 ASN A 74 9.294 14.618 3.627 1.00 0.00 O ATOM 1139 ND2 ASN A 74 8.440 12.679 4.366 1.00 0.00 N ATOM 0 H ASN A 74 7.473 12.012 1.362 1.00 0.00 H new ATOM 0 HA ASN A 74 5.420 13.873 1.970 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.886 15.393 3.378 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.228 13.991 4.199 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.356 12.331 4.651 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.610 12.102 4.504 1.00 0.00 H new ATOM 1146 N GLY A 75 6.469 14.712 -0.118 1.00 0.00 N ATOM 1147 CA GLY A 75 7.034 15.385 -1.272 1.00 0.00 C ATOM 1148 C GLY A 75 6.937 14.537 -2.524 1.00 0.00 C ATOM 1149 O GLY A 75 7.921 13.934 -2.952 1.00 0.00 O ATOM 0 H GLY A 75 5.480 14.477 -0.204 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.514 16.330 -1.432 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.079 15.626 -1.076 1.00 0.00 H new ATOM 1153 N LYS A 76 5.744 14.484 -3.108 1.00 0.00 N ATOM 1154 CA LYS A 76 5.515 13.698 -4.307 1.00 0.00 C ATOM 1155 C LYS A 76 5.805 12.222 -4.040 1.00 0.00 C ATOM 1156 O LYS A 76 6.955 11.831 -3.836 1.00 0.00 O ATOM 1157 CB LYS A 76 6.385 14.216 -5.449 1.00 0.00 C ATOM 1158 CG LYS A 76 5.666 14.272 -6.788 1.00 0.00 C ATOM 1159 CD LYS A 76 4.923 15.588 -6.966 1.00 0.00 C ATOM 1160 CE LYS A 76 3.464 15.368 -7.338 1.00 0.00 C ATOM 1161 NZ LYS A 76 2.760 14.498 -6.355 1.00 0.00 N ATOM 0 H LYS A 76 4.921 14.979 -2.766 1.00 0.00 H new ATOM 0 HA LYS A 76 4.468 13.795 -4.595 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.743 15.214 -5.197 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.263 13.577 -5.544 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.388 14.148 -7.595 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.962 13.443 -6.859 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.980 16.165 -6.043 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.411 16.179 -7.742 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.957 16.331 -7.398 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.407 14.915 -8.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.733 14.628 -6.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.001 13.503 -6.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.054 14.755 -5.391 1.00 0.00 H new ATOM 1175 N VAL A 77 4.752 11.414 -4.027 1.00 0.00 N ATOM 1176 CA VAL A 77 4.879 9.983 -3.765 1.00 0.00 C ATOM 1177 C VAL A 77 4.385 9.151 -4.941 1.00 0.00 C ATOM 1178 O VAL A 77 3.182 9.060 -5.179 1.00 0.00 O ATOM 1179 CB VAL A 77 4.083 9.573 -2.512 1.00 0.00 C ATOM 1180 CG1 VAL A 77 4.971 9.598 -1.282 1.00 0.00 C ATOM 1181 CG2 VAL A 77 2.874 10.467 -2.318 1.00 0.00 C ATOM 0 H VAL A 77 3.796 11.726 -4.196 1.00 0.00 H new ATOM 0 HA VAL A 77 5.940 9.792 -3.607 1.00 0.00 H new ATOM 0 HB VAL A 77 3.727 8.553 -2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.390 9.305 -0.408 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.799 8.902 -1.417 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.363 10.605 -1.137 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.330 10.155 -1.426 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.201 11.500 -2.201 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.221 10.389 -3.187 1.00 0.00 H new ATOM 1191 N SER A 78 5.315 8.532 -5.659 1.00 0.00 N ATOM 1192 CA SER A 78 4.965 7.694 -6.800 1.00 0.00 C ATOM 1193 C SER A 78 5.121 6.218 -6.441 1.00 0.00 C ATOM 1194 O SER A 78 6.239 5.715 -6.316 1.00 0.00 O ATOM 1195 CB SER A 78 5.841 8.040 -8.004 1.00 0.00 C ATOM 1196 OG SER A 78 5.246 7.602 -9.214 1.00 0.00 O ATOM 0 H SER A 78 6.316 8.594 -5.472 1.00 0.00 H new ATOM 0 HA SER A 78 3.924 7.882 -7.062 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.000 9.118 -8.043 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.821 7.577 -7.889 1.00 0.00 H new ATOM 0 HG SER A 78 5.826 7.837 -9.968 1.00 0.00 H new ATOM 1202 N MET A 79 3.997 5.534 -6.255 1.00 0.00 N ATOM 1203 CA MET A 79 4.012 4.123 -5.887 1.00 0.00 C ATOM 1204 C MET A 79 3.450 3.238 -6.997 1.00 0.00 C ATOM 1205 O MET A 79 2.341 3.464 -7.479 1.00 0.00 O ATOM 1206 CB MET A 79 3.209 3.898 -4.600 1.00 0.00 C ATOM 1207 CG MET A 79 3.131 5.121 -3.702 1.00 0.00 C ATOM 1208 SD MET A 79 1.717 6.173 -4.084 1.00 0.00 S ATOM 1209 CE MET A 79 0.593 5.717 -2.767 1.00 0.00 C ATOM 0 H MET A 79 3.064 5.934 -6.353 1.00 0.00 H new ATOM 0 HA MET A 79 5.053 3.845 -5.725 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.198 3.588 -4.864 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.659 3.077 -4.041 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.070 4.800 -2.662 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.048 5.701 -3.803 1.00 0.00 H new ATOM 0 HE1 MET A 79 -0.358 6.231 -2.906 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.429 4.640 -2.785 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.023 6.002 -1.807 1.00 0.00 H new ATOM 1219 N GLU A 80 4.212 2.217 -7.382 1.00 0.00 N ATOM 1220 CA GLU A 80 3.772 1.287 -8.417 1.00 0.00 C ATOM 1221 C GLU A 80 2.991 0.139 -7.788 1.00 0.00 C ATOM 1222 O GLU A 80 3.561 -0.721 -7.118 1.00 0.00 O ATOM 1223 CB GLU A 80 4.966 0.744 -9.210 1.00 0.00 C ATOM 1224 CG GLU A 80 4.933 1.116 -10.684 1.00 0.00 C ATOM 1225 CD GLU A 80 6.256 1.672 -11.174 1.00 0.00 C ATOM 1226 OE1 GLU A 80 6.860 2.494 -10.451 1.00 0.00 O ATOM 1227 OE2 GLU A 80 6.689 1.288 -12.281 1.00 0.00 O ATOM 0 H GLU A 80 5.133 2.014 -6.994 1.00 0.00 H new ATOM 0 HA GLU A 80 3.123 1.824 -9.108 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.888 1.122 -8.768 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.990 -0.342 -9.118 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.673 0.235 -11.272 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.148 1.854 -10.851 1.00 0.00 H new ATOM 1234 N VAL A 81 1.682 0.147 -7.996 1.00 0.00 N ATOM 1235 CA VAL A 81 0.810 -0.882 -7.437 1.00 0.00 C ATOM 1236 C VAL A 81 0.489 -1.968 -8.455 1.00 0.00 C ATOM 1237 O VAL A 81 0.312 -1.694 -9.641 1.00 0.00 O ATOM 1238 CB VAL A 81 -0.508 -0.284 -6.914 1.00 0.00 C ATOM 1239 CG1 VAL A 81 -0.325 0.262 -5.508 1.00 0.00 C ATOM 1240 CG2 VAL A 81 -1.015 0.798 -7.851 1.00 0.00 C ATOM 0 H VAL A 81 1.198 0.855 -8.548 1.00 0.00 H new ATOM 0 HA VAL A 81 1.359 -1.326 -6.606 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.255 -1.077 -6.877 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.267 0.681 -5.155 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.014 -0.543 -4.843 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.438 1.041 -5.517 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.948 1.208 -7.463 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.273 1.593 -7.925 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.189 0.371 -8.839 1.00 0.00 H new ATOM 1250 N THR A 82 0.410 -3.204 -7.973 1.00 0.00 N ATOM 1251 CA THR A 82 0.105 -4.345 -8.827 1.00 0.00 C ATOM 1252 C THR A 82 -1.305 -4.857 -8.539 1.00 0.00 C ATOM 1253 O THR A 82 -1.640 -5.170 -7.398 1.00 0.00 O ATOM 1254 CB THR A 82 1.127 -5.461 -8.600 1.00 0.00 C ATOM 1255 OG1 THR A 82 2.430 -5.023 -8.939 1.00 0.00 O ATOM 1256 CG2 THR A 82 0.842 -6.714 -9.401 1.00 0.00 C ATOM 0 H THR A 82 0.554 -3.441 -6.991 1.00 0.00 H new ATOM 0 HA THR A 82 0.157 -4.027 -9.868 1.00 0.00 H new ATOM 0 HB THR A 82 1.053 -5.705 -7.540 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.393 -4.094 -9.249 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.606 -7.462 -9.190 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.136 -7.107 -9.125 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.851 -6.476 -10.465 1.00 0.00 H new ATOM 1264 N ARG A 83 -2.129 -4.926 -9.581 1.00 0.00 N ATOM 1265 CA ARG A 83 -3.506 -5.387 -9.435 1.00 0.00 C ATOM 1266 C ARG A 83 -3.682 -6.797 -9.990 1.00 0.00 C ATOM 1267 O ARG A 83 -3.931 -6.978 -11.182 1.00 0.00 O ATOM 1268 CB ARG A 83 -4.471 -4.430 -10.142 1.00 0.00 C ATOM 1269 CG ARG A 83 -4.027 -2.975 -10.114 1.00 0.00 C ATOM 1270 CD ARG A 83 -5.035 -2.073 -10.807 1.00 0.00 C ATOM 1271 NE ARG A 83 -4.698 -1.856 -12.212 1.00 0.00 N ATOM 1272 CZ ARG A 83 -5.564 -1.417 -13.123 1.00 0.00 C ATOM 1273 NH1 ARG A 83 -6.819 -1.148 -12.781 1.00 0.00 N ATOM 1274 NH2 ARG A 83 -5.176 -1.248 -14.379 1.00 0.00 N ATOM 0 H ARG A 83 -1.868 -4.669 -10.533 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.734 -5.406 -8.369 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.585 -4.745 -11.179 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.453 -4.509 -9.675 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.898 -2.652 -9.081 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.057 -2.880 -10.601 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.028 -2.517 -10.736 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.078 -1.113 -10.292 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.743 -2.052 -12.513 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.124 -1.277 -11.816 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -7.478 -0.812 -13.483 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.214 -1.454 -14.648 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.840 -0.912 -15.077 1.00 0.00 H new ATOM 1288 N PRO A 84 -3.560 -7.821 -9.127 1.00 0.00 N ATOM 1289 CA PRO A 84 -3.712 -9.218 -9.536 1.00 0.00 C ATOM 1290 C PRO A 84 -5.174 -9.609 -9.718 1.00 0.00 C ATOM 1291 O PRO A 84 -6.069 -8.769 -9.629 1.00 0.00 O ATOM 1292 CB PRO A 84 -3.099 -9.984 -8.367 1.00 0.00 C ATOM 1293 CG PRO A 84 -3.336 -9.112 -7.183 1.00 0.00 C ATOM 1294 CD PRO A 84 -3.267 -7.696 -7.686 1.00 0.00 C ATOM 0 HA PRO A 84 -3.241 -9.422 -10.498 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -3.569 -10.959 -8.242 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -2.035 -10.161 -8.523 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.308 -9.319 -6.735 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -2.585 -9.289 -6.413 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -3.993 -7.057 -7.184 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -2.284 -7.258 -7.514 1.00 0.00 H new ATOM 1302 N LYS A 85 -5.409 -10.893 -9.971 1.00 0.00 N ATOM 1303 CA LYS A 85 -6.764 -11.397 -10.162 1.00 0.00 C ATOM 1304 C LYS A 85 -7.228 -12.183 -8.938 1.00 0.00 C ATOM 1305 O LYS A 85 -6.412 -12.728 -8.194 1.00 0.00 O ATOM 1306 CB LYS A 85 -6.830 -12.284 -11.407 1.00 0.00 C ATOM 1307 CG LYS A 85 -5.981 -13.542 -11.306 1.00 0.00 C ATOM 1308 CD LYS A 85 -5.459 -13.973 -12.668 1.00 0.00 C ATOM 1309 CE LYS A 85 -5.535 -15.481 -12.843 1.00 0.00 C ATOM 1310 NZ LYS A 85 -5.578 -15.871 -14.279 1.00 0.00 N ATOM 0 H LYS A 85 -4.680 -11.602 -10.048 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.428 -10.543 -10.298 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.867 -12.569 -11.585 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.506 -11.706 -12.272 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.142 -13.363 -10.634 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.572 -14.347 -10.870 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.039 -13.485 -13.452 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -4.426 -13.644 -12.784 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.672 -15.946 -12.366 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.422 -15.861 -12.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.629 -16.907 -14.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.415 -15.448 -14.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.719 -15.531 -14.757 1.00 0.00 H new ATOM 1324 N PRO A 86 -8.551 -12.253 -8.711 1.00 0.00 N ATOM 1325 CA PRO A 86 -9.118 -12.977 -7.569 1.00 0.00 C ATOM 1326 C PRO A 86 -8.880 -14.481 -7.662 1.00 0.00 C ATOM 1327 O PRO A 86 -8.572 -15.005 -8.733 1.00 0.00 O ATOM 1328 CB PRO A 86 -10.616 -12.667 -7.652 1.00 0.00 C ATOM 1329 CG PRO A 86 -10.854 -12.307 -9.077 1.00 0.00 C ATOM 1330 CD PRO A 86 -9.596 -11.634 -9.547 1.00 0.00 C ATOM 0 HA PRO A 86 -8.660 -12.672 -6.628 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.215 -13.529 -7.357 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -10.887 -11.847 -6.987 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -11.069 -13.194 -9.673 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.712 -11.642 -9.174 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.418 -11.808 -10.608 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -9.639 -10.554 -9.404 1.00 0.00 H new ATOM 1338 N GLY A 87 -9.026 -15.167 -6.535 1.00 0.00 N ATOM 1339 CA GLY A 87 -8.823 -16.604 -6.509 1.00 0.00 C ATOM 1340 C GLY A 87 -7.935 -17.045 -5.362 1.00 0.00 C ATOM 1341 O GLY A 87 -6.726 -16.814 -5.380 1.00 0.00 O ATOM 0 H GLY A 87 -9.281 -14.754 -5.638 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.789 -17.103 -6.429 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.378 -16.922 -7.452 1.00 0.00 H new ATOM 1345 N SER A 88 -8.536 -17.681 -4.361 1.00 0.00 N ATOM 1346 CA SER A 88 -7.791 -18.154 -3.200 1.00 0.00 C ATOM 1347 C SER A 88 -7.132 -16.992 -2.465 1.00 0.00 C ATOM 1348 O SER A 88 -7.012 -15.891 -3.004 1.00 0.00 O ATOM 1349 CB SER A 88 -6.732 -19.171 -3.625 1.00 0.00 C ATOM 1350 OG SER A 88 -5.969 -19.609 -2.514 1.00 0.00 O ATOM 0 H SER A 88 -9.536 -17.880 -4.331 1.00 0.00 H new ATOM 0 HA SER A 88 -8.495 -18.636 -2.522 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.214 -20.026 -4.099 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.073 -18.724 -4.369 1.00 0.00 H new ATOM 0 HG SER A 88 -5.300 -20.260 -2.813 1.00 0.00 H new ATOM 1356 N GLY A 89 -6.704 -17.244 -1.233 1.00 0.00 N ATOM 1357 CA GLY A 89 -6.060 -16.210 -0.443 1.00 0.00 C ATOM 1358 C GLY A 89 -6.956 -15.006 -0.224 1.00 0.00 C ATOM 1359 O GLY A 89 -6.557 -13.872 -0.480 1.00 0.00 O ATOM 0 H GLY A 89 -6.791 -18.147 -0.766 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.769 -16.623 0.523 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.145 -15.892 -0.943 1.00 0.00 H new ATOM 1363 N GLY A 90 -8.173 -15.255 0.251 1.00 0.00 N ATOM 1364 CA GLY A 90 -9.108 -14.174 0.498 1.00 0.00 C ATOM 1365 C GLY A 90 -9.929 -13.827 -0.729 1.00 0.00 C ATOM 1366 O GLY A 90 -9.408 -13.276 -1.698 1.00 0.00 O ATOM 0 H GLY A 90 -8.527 -16.186 0.469 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.777 -14.455 1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -8.560 -13.291 0.826 1.00 0.00 H new ATOM 1370 N SER A 91 -11.217 -14.153 -0.687 1.00 0.00 N ATOM 1371 CA SER A 91 -12.112 -13.873 -1.804 1.00 0.00 C ATOM 1372 C SER A 91 -12.894 -12.586 -1.566 1.00 0.00 C ATOM 1373 O SER A 91 -13.176 -11.836 -2.501 1.00 0.00 O ATOM 1374 CB SER A 91 -13.077 -15.039 -2.015 1.00 0.00 C ATOM 1375 OG SER A 91 -12.378 -16.237 -2.305 1.00 0.00 O ATOM 0 H SER A 91 -11.664 -14.611 0.108 1.00 0.00 H new ATOM 0 HA SER A 91 -11.505 -13.746 -2.700 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.685 -15.177 -1.121 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.760 -14.806 -2.832 1.00 0.00 H new ATOM 0 HG SER A 91 -13.019 -16.967 -2.434 1.00 0.00 H new ATOM 1381 N GLY A 92 -13.243 -12.336 -0.308 1.00 0.00 N ATOM 1382 CA GLY A 92 -13.989 -11.138 0.031 1.00 0.00 C ATOM 1383 C GLY A 92 -13.091 -9.996 0.461 1.00 0.00 C ATOM 1384 O GLY A 92 -11.869 -10.078 0.337 1.00 0.00 O ATOM 0 H GLY A 92 -13.023 -12.942 0.483 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -14.580 -10.826 -0.830 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.691 -11.366 0.833 1.00 0.00 H new ATOM 1388 N SER A 93 -13.698 -8.927 0.968 1.00 0.00 N ATOM 1389 CA SER A 93 -12.945 -7.762 1.418 1.00 0.00 C ATOM 1390 C SER A 93 -11.965 -8.143 2.525 1.00 0.00 C ATOM 1391 O SER A 93 -12.107 -9.185 3.161 1.00 0.00 O ATOM 1392 CB SER A 93 -13.896 -6.675 1.919 1.00 0.00 C ATOM 1393 OG SER A 93 -14.882 -6.372 0.944 1.00 0.00 O ATOM 0 H SER A 93 -14.709 -8.844 1.077 1.00 0.00 H new ATOM 0 HA SER A 93 -12.379 -7.377 0.570 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.379 -7.005 2.839 1.00 0.00 H new ATOM 0 HB3 SER A 93 -13.330 -5.775 2.161 1.00 0.00 H new ATOM 0 HG SER A 93 -15.570 -5.798 1.341 1.00 0.00 H new ATOM 1399 N LEU A 94 -10.970 -7.288 2.747 1.00 0.00 N ATOM 1400 CA LEU A 94 -9.968 -7.537 3.776 1.00 0.00 C ATOM 1401 C LEU A 94 -10.474 -7.092 5.146 1.00 0.00 C ATOM 1402 O LEU A 94 -10.107 -7.668 6.170 1.00 0.00 O ATOM 1403 CB LEU A 94 -8.665 -6.811 3.435 1.00 0.00 C ATOM 1404 CG LEU A 94 -7.761 -7.541 2.438 1.00 0.00 C ATOM 1405 CD1 LEU A 94 -7.862 -6.905 1.060 1.00 0.00 C ATOM 1406 CD2 LEU A 94 -6.318 -7.543 2.924 1.00 0.00 C ATOM 0 H LEU A 94 -10.837 -6.419 2.229 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.777 -8.609 3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -8.909 -5.829 3.030 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.106 -6.646 4.356 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.098 -8.575 2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.213 -7.437 0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.892 -6.960 0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.554 -5.861 1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.692 -8.066 2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.969 -6.516 3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.260 -8.048 3.888 1.00 0.00 H new ATOM 1418 N VAL A 95 -11.322 -6.067 5.158 1.00 0.00 N ATOM 1419 CA VAL A 95 -11.880 -5.553 6.404 1.00 0.00 C ATOM 1420 C VAL A 95 -13.255 -6.160 6.675 1.00 0.00 C ATOM 1421 O VAL A 95 -14.074 -6.292 5.765 1.00 0.00 O ATOM 1422 CB VAL A 95 -11.988 -4.014 6.381 1.00 0.00 C ATOM 1423 CG1 VAL A 95 -12.998 -3.550 5.341 1.00 0.00 C ATOM 1424 CG2 VAL A 95 -12.354 -3.483 7.759 1.00 0.00 C ATOM 0 H VAL A 95 -11.637 -5.577 4.320 1.00 0.00 H new ATOM 0 HA VAL A 95 -11.199 -5.840 7.205 1.00 0.00 H new ATOM 0 HB VAL A 95 -11.013 -3.612 6.104 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -13.053 -2.461 5.347 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -12.687 -3.892 4.354 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -13.979 -3.964 5.576 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -12.426 -2.396 7.723 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.313 -3.900 8.067 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -11.586 -3.772 8.476 1.00 0.00 H new ATOM 1434 N PRO A 96 -13.526 -6.554 7.934 1.00 0.00 N ATOM 1435 CA PRO A 96 -14.802 -7.162 8.314 1.00 0.00 C ATOM 1436 C PRO A 96 -15.913 -6.140 8.568 1.00 0.00 C ATOM 1437 O PRO A 96 -16.891 -6.438 9.254 1.00 0.00 O ATOM 1438 CB PRO A 96 -14.451 -7.899 9.601 1.00 0.00 C ATOM 1439 CG PRO A 96 -13.362 -7.090 10.217 1.00 0.00 C ATOM 1440 CD PRO A 96 -12.603 -6.452 9.082 1.00 0.00 C ATOM 0 HA PRO A 96 -15.200 -7.795 7.521 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -15.314 -7.971 10.264 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -14.120 -8.917 9.396 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -13.773 -6.331 10.883 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -12.705 -7.719 10.817 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -12.353 -5.414 9.302 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -11.665 -6.971 8.887 1.00 0.00 H new ATOM 1448 N ARG A 97 -15.765 -4.941 8.012 1.00 0.00 N ATOM 1449 CA ARG A 97 -16.764 -3.887 8.180 1.00 0.00 C ATOM 1450 C ARG A 97 -17.074 -3.647 9.656 1.00 0.00 C ATOM 1451 O ARG A 97 -18.167 -3.954 10.130 1.00 0.00 O ATOM 1452 CB ARG A 97 -18.045 -4.253 7.428 1.00 0.00 C ATOM 1453 CG ARG A 97 -17.893 -4.227 5.916 1.00 0.00 C ATOM 1454 CD ARG A 97 -17.248 -5.503 5.397 1.00 0.00 C ATOM 1455 NE ARG A 97 -18.215 -6.376 4.736 1.00 0.00 N ATOM 1456 CZ ARG A 97 -18.645 -6.199 3.488 1.00 0.00 C ATOM 1457 NH1 ARG A 97 -18.203 -5.178 2.765 1.00 0.00 N ATOM 1458 NH2 ARG A 97 -19.523 -7.043 2.963 1.00 0.00 N ATOM 0 H ARG A 97 -14.963 -4.674 7.441 1.00 0.00 H new ATOM 0 HA ARG A 97 -16.354 -2.965 7.767 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -18.365 -5.249 7.735 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -18.836 -3.561 7.717 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -18.872 -4.099 5.453 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -17.288 -3.368 5.625 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -16.452 -5.248 4.697 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -16.784 -6.038 6.226 1.00 0.00 H new ATOM 0 HE ARG A 97 -18.583 -7.169 5.262 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -17.530 -4.524 3.164 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -18.536 -5.048 1.810 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -19.869 -7.828 3.515 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -19.852 -6.907 2.007 1.00 0.00 H new ATOM 1472 N LEU A 98 -16.104 -3.093 10.375 1.00 0.00 N ATOM 1473 CA LEU A 98 -16.272 -2.805 11.796 1.00 0.00 C ATOM 1474 C LEU A 98 -16.758 -1.376 12.004 1.00 0.00 C ATOM 1475 O LEU A 98 -17.851 -1.148 12.522 1.00 0.00 O ATOM 1476 CB LEU A 98 -14.952 -3.027 12.540 1.00 0.00 C ATOM 1477 CG LEU A 98 -14.139 -4.229 12.060 1.00 0.00 C ATOM 1478 CD1 LEU A 98 -13.225 -3.831 10.913 1.00 0.00 C ATOM 1479 CD2 LEU A 98 -13.331 -4.828 13.200 1.00 0.00 C ATOM 0 H LEU A 98 -15.192 -2.834 9.998 1.00 0.00 H new ATOM 0 HA LEU A 98 -17.023 -3.485 12.197 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -14.341 -2.130 12.441 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -15.166 -3.152 13.601 1.00 0.00 H new ATOM 0 HG LEU A 98 -14.835 -4.987 11.702 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -12.654 -4.699 10.584 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -13.824 -3.456 10.084 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.540 -3.052 11.247 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -12.761 -5.682 12.833 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.646 -4.077 13.594 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -14.005 -5.155 13.991 1.00 0.00 H new ATOM 1491 N LEU A 99 -15.939 -0.416 11.589 1.00 0.00 N ATOM 1492 CA LEU A 99 -16.280 0.995 11.722 1.00 0.00 C ATOM 1493 C LEU A 99 -16.242 1.685 10.361 1.00 0.00 C ATOM 1494 O LEU A 99 -16.252 1.025 9.322 1.00 0.00 O ATOM 1495 CB LEU A 99 -15.316 1.683 12.690 1.00 0.00 C ATOM 1496 CG LEU A 99 -15.959 2.706 13.630 1.00 0.00 C ATOM 1497 CD1 LEU A 99 -16.534 2.014 14.856 1.00 0.00 C ATOM 1498 CD2 LEU A 99 -14.945 3.765 14.038 1.00 0.00 C ATOM 0 H LEU A 99 -15.032 -0.590 11.157 1.00 0.00 H new ATOM 0 HA LEU A 99 -17.292 1.070 12.120 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -14.823 0.919 13.292 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -14.539 2.183 12.111 1.00 0.00 H new ATOM 0 HG LEU A 99 -16.774 3.198 13.100 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -16.987 2.756 15.514 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -17.291 1.294 14.546 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -15.737 1.496 15.389 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -15.419 4.484 14.706 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -14.109 3.290 14.551 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -14.580 4.281 13.150 1.00 0.00 H new ATOM 1510 N ARG A 100 -16.192 3.015 10.370 1.00 0.00 N ATOM 1511 CA ARG A 100 -16.147 3.783 9.130 1.00 0.00 C ATOM 1512 C ARG A 100 -14.986 3.321 8.253 1.00 0.00 C ATOM 1513 O ARG A 100 -15.181 2.574 7.293 1.00 0.00 O ATOM 1514 CB ARG A 100 -16.019 5.276 9.439 1.00 0.00 C ATOM 1515 CG ARG A 100 -17.356 5.994 9.540 1.00 0.00 C ATOM 1516 CD ARG A 100 -18.139 5.540 10.762 1.00 0.00 C ATOM 1517 NE ARG A 100 -19.583 5.588 10.535 1.00 0.00 N ATOM 1518 CZ ARG A 100 -20.313 6.696 10.630 1.00 0.00 C ATOM 1519 NH1 ARG A 100 -19.741 7.853 10.941 1.00 0.00 N ATOM 1520 NH2 ARG A 100 -21.620 6.649 10.411 1.00 0.00 N ATOM 0 H ARG A 100 -16.182 3.581 11.219 1.00 0.00 H new ATOM 0 HA ARG A 100 -17.076 3.615 8.585 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -15.478 5.399 10.377 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -15.420 5.749 8.661 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -17.190 7.070 9.592 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -17.941 5.805 8.640 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -17.846 4.523 11.023 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -17.884 6.173 11.612 1.00 0.00 H new ATOM 0 HE ARG A 100 -20.059 4.720 10.289 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -18.736 7.896 11.109 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -20.307 8.699 11.012 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -22.065 5.764 10.170 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -22.180 7.498 10.484 1.00 0.00 H new ATOM 1534 N ARG A 101 -13.778 3.756 8.595 1.00 0.00 N ATOM 1535 CA ARG A 101 -12.587 3.369 7.846 1.00 0.00 C ATOM 1536 C ARG A 101 -11.461 2.959 8.797 1.00 0.00 C ATOM 1537 O ARG A 101 -10.284 3.026 8.440 1.00 0.00 O ATOM 1538 CB ARG A 101 -12.125 4.512 6.921 1.00 0.00 C ATOM 1539 CG ARG A 101 -11.249 5.562 7.603 1.00 0.00 C ATOM 1540 CD ARG A 101 -11.861 6.963 7.564 1.00 0.00 C ATOM 1541 NE ARG A 101 -13.321 6.944 7.472 1.00 0.00 N ATOM 1542 CZ ARG A 101 -14.043 7.931 6.942 1.00 0.00 C ATOM 1543 NH1 ARG A 101 -13.451 9.025 6.477 1.00 0.00 N ATOM 1544 NH2 ARG A 101 -15.365 7.825 6.879 1.00 0.00 N ATOM 0 H ARG A 101 -13.597 4.376 9.385 1.00 0.00 H new ATOM 0 HA ARG A 101 -12.842 2.511 7.225 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -11.573 4.085 6.084 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -13.004 5.004 6.505 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -11.084 5.272 8.641 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -10.273 5.584 7.119 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.566 7.508 8.460 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -11.455 7.508 6.711 1.00 0.00 H new ATOM 0 HE ARG A 101 -13.815 6.128 7.834 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -12.436 9.115 6.524 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -14.011 9.776 6.073 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -15.827 6.989 7.236 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -15.918 8.580 6.474 1.00 0.00 H new ATOM 1558 N ASN A 102 -11.831 2.534 10.007 1.00 0.00 N ATOM 1559 CA ASN A 102 -10.852 2.112 11.009 1.00 0.00 C ATOM 1560 C ASN A 102 -9.886 1.093 10.417 1.00 0.00 C ATOM 1561 O ASN A 102 -10.150 -0.110 10.429 1.00 0.00 O ATOM 1562 CB ASN A 102 -11.561 1.516 12.226 1.00 0.00 C ATOM 1563 CG ASN A 102 -10.867 1.866 13.528 1.00 0.00 C ATOM 1564 OD1 ASN A 102 -9.701 1.523 13.736 1.00 0.00 O ATOM 1565 ND2 ASN A 102 -11.579 2.552 14.414 1.00 0.00 N ATOM 0 H ASN A 102 -12.801 2.473 10.316 1.00 0.00 H new ATOM 0 HA ASN A 102 -10.285 2.988 11.325 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -12.589 1.877 12.257 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -11.607 0.432 12.122 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -11.164 2.816 15.308 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -12.541 2.816 14.201 1.00 0.00 H new ATOM 1572 N GLN A 103 -8.781 1.585 9.874 1.00 0.00 N ATOM 1573 CA GLN A 103 -7.789 0.725 9.247 1.00 0.00 C ATOM 1574 C GLN A 103 -6.371 1.191 9.533 1.00 0.00 C ATOM 1575 O GLN A 103 -6.157 2.263 10.097 1.00 0.00 O ATOM 1576 CB GLN A 103 -8.026 0.711 7.740 1.00 0.00 C ATOM 1577 CG GLN A 103 -9.323 0.040 7.345 1.00 0.00 C ATOM 1578 CD GLN A 103 -9.151 -1.433 7.027 1.00 0.00 C ATOM 1579 OE1 GLN A 103 -9.922 -2.273 7.490 1.00 0.00 O ATOM 1580 NE2 GLN A 103 -8.134 -1.758 6.235 1.00 0.00 N ATOM 0 H GLN A 103 -8.549 2.578 9.856 1.00 0.00 H new ATOM 0 HA GLN A 103 -7.897 -0.277 9.663 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -8.028 1.736 7.370 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -7.197 0.198 7.253 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -10.045 0.150 8.154 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -9.739 0.548 6.475 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -7.518 -1.031 5.872 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -7.970 -2.735 5.990 1.00 0.00 H new ATOM 1589 N TYR A 104 -5.401 0.386 9.109 1.00 0.00 N ATOM 1590 CA TYR A 104 -4.004 0.736 9.290 1.00 0.00 C ATOM 1591 C TYR A 104 -3.616 1.735 8.215 1.00 0.00 C ATOM 1592 O TYR A 104 -3.295 1.359 7.088 1.00 0.00 O ATOM 1593 CB TYR A 104 -3.122 -0.513 9.192 1.00 0.00 C ATOM 1594 CG TYR A 104 -1.793 -0.383 9.904 1.00 0.00 C ATOM 1595 CD1 TYR A 104 -1.725 0.104 11.203 1.00 0.00 C ATOM 1596 CD2 TYR A 104 -0.609 -0.757 9.281 1.00 0.00 C ATOM 1597 CE1 TYR A 104 -0.515 0.217 11.861 1.00 0.00 C ATOM 1598 CE2 TYR A 104 0.606 -0.646 9.932 1.00 0.00 C ATOM 1599 CZ TYR A 104 0.647 -0.160 11.222 1.00 0.00 C ATOM 1600 OH TYR A 104 1.853 -0.051 11.875 1.00 0.00 O ATOM 0 H TYR A 104 -5.559 -0.506 8.641 1.00 0.00 H new ATOM 0 HA TYR A 104 -3.860 1.174 10.277 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -3.664 -1.362 9.608 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.940 -0.735 8.141 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -2.633 0.399 11.707 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -0.638 -1.141 8.272 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -0.480 0.599 12.871 1.00 0.00 H new ATOM 0 HE2 TYR A 104 1.518 -0.938 9.433 1.00 0.00 H new ATOM 0 HH TYR A 104 2.452 0.529 11.361 1.00 0.00 H new ATOM 1610 N TRP A 105 -3.669 3.012 8.561 1.00 0.00 N ATOM 1611 CA TRP A 105 -3.346 4.067 7.615 1.00 0.00 C ATOM 1612 C TRP A 105 -1.935 4.596 7.846 1.00 0.00 C ATOM 1613 O TRP A 105 -1.463 4.661 8.980 1.00 0.00 O ATOM 1614 CB TRP A 105 -4.364 5.205 7.737 1.00 0.00 C ATOM 1615 CG TRP A 105 -5.797 4.751 7.673 1.00 0.00 C ATOM 1616 CD1 TRP A 105 -6.632 4.492 8.726 1.00 0.00 C ATOM 1617 CD2 TRP A 105 -6.564 4.495 6.493 1.00 0.00 C ATOM 1618 NE1 TRP A 105 -7.870 4.121 8.268 1.00 0.00 N ATOM 1619 CE2 TRP A 105 -7.850 4.107 6.904 1.00 0.00 C ATOM 1620 CE3 TRP A 105 -6.298 4.558 5.127 1.00 0.00 C ATOM 1621 CZ2 TRP A 105 -8.852 3.789 5.998 1.00 0.00 C ATOM 1622 CZ3 TRP A 105 -7.296 4.232 4.240 1.00 0.00 C ATOM 1623 CH2 TRP A 105 -8.555 3.854 4.681 1.00 0.00 C ATOM 0 H TRP A 105 -3.933 3.342 9.489 1.00 0.00 H new ATOM 0 HA TRP A 105 -3.390 3.652 6.608 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -4.200 5.726 8.680 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.186 5.926 6.939 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.356 4.569 9.767 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -8.675 3.893 8.852 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -5.324 4.858 4.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -9.837 3.499 6.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -7.096 4.271 3.179 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -9.316 3.606 3.956 1.00 0.00 H new ATOM 1634 N VAL A 106 -1.267 4.974 6.762 1.00 0.00 N ATOM 1635 CA VAL A 106 0.091 5.499 6.846 1.00 0.00 C ATOM 1636 C VAL A 106 0.090 7.023 6.886 1.00 0.00 C ATOM 1637 O VAL A 106 -0.617 7.636 6.059 1.00 0.00 O ATOM 1638 CB VAL A 106 0.949 5.030 5.656 1.00 0.00 C ATOM 1639 CG1 VAL A 106 1.306 3.560 5.801 1.00 0.00 C ATOM 1640 CG2 VAL A 106 0.225 5.284 4.342 1.00 0.00 C ATOM 1641 OXT VAL A 106 0.795 7.591 7.746 1.00 0.00 O ATOM 0 H VAL A 106 -1.643 4.927 5.815 1.00 0.00 H new ATOM 0 HA VAL A 106 0.522 5.114 7.770 1.00 0.00 H new ATOM 0 HB VAL A 106 1.875 5.605 5.651 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.912 3.247 4.951 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.869 3.412 6.722 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.393 2.965 5.834 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.847 4.946 3.513 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.718 4.737 4.335 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.027 6.351 4.236 1.00 0.00 H new TER 1651 VAL A 106