USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1000 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 112 THR OG1 : rot 180:sc= 0.00246 USER MOD Set 1.2: A 115 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 7 LYS NZ :NH3+ -170:sc= -0.148 (180deg=-0.47) USER MOD Set 3.2: A 32 ASN : amide:sc= -0.563 K(o=-0.71,f=-3.7!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc=-0.00924 USER MOD Single : A 23 ASN : amide:sc=-0.00691 X(o=-0.0069,f=-0.21) USER MOD Single : A 26 LYS NZ :NH3+ -171:sc= -1.04 (180deg=-1.36!) USER MOD Single : A 31 ASN : amide:sc= -0.304 X(o=-0.3,f=0.18) USER MOD Single : A 44 ASN : amide:sc= -0.766 K(o=-0.77,f=-1.7!) USER MOD Single : A 45 LYS NZ :NH3+ 151:sc= -0.084 (180deg=-0.444) USER MOD Single : A 47 GLN : amide:sc= 0.0528 K(o=0.053,f=-1.2!) USER MOD Single : A 51 TYR OH : rot -49:sc= -4.16! USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN :FLIP amide:sc= -0.0822 F(o=-1.1,f=-0.082) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -2.73! X(o=-2.7!,f=-3) USER MOD Single : A 63 MET CE :methyl -175:sc= 0 (180deg=-0.0428) USER MOD Single : A 70 LYS NZ :NH3+ 144:sc= -0.171 (180deg=-1.21!) USER MOD Single : A 71 THR OG1 : rot -108:sc=0.000693 USER MOD Single : A 78 MET CE :methyl -108:sc= -1.46 (180deg=-6.82!) USER MOD Single : A 79 SER OG : rot 180:sc= -0.172 USER MOD Single : A 85 MET CE :methyl -171:sc= -0.866 (180deg=-0.984) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -2.21 X(o=-2.2,f=-2.2) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= -4.15! USER MOD Single : A 119 LYS NZ :NH3+ -152:sc= -0.0218 (180deg=-0.368) USER MOD Single : A 121 ASN : amide:sc= -0.0382 X(o=-0.038,f=-0.31) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -13.876 0.490 8.724 1.00 0.00 N ATOM 2 CA ALA A 2 -12.547 1.146 8.863 1.00 0.00 C ATOM 3 C ALA A 2 -12.588 2.537 8.221 1.00 0.00 C ATOM 4 O ALA A 2 -11.793 2.860 7.362 1.00 0.00 O ATOM 5 CB ALA A 2 -11.481 0.287 8.174 1.00 0.00 C ATOM 0 HA ALA A 2 -12.301 1.249 9.920 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.507 0.766 8.275 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.451 -0.698 8.639 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.726 0.182 7.117 1.00 0.00 H new ATOM 11 N ASP A 3 -13.510 3.366 8.638 1.00 0.00 N ATOM 12 CA ASP A 3 -13.605 4.740 8.061 1.00 0.00 C ATOM 13 C ASP A 3 -14.011 4.659 6.588 1.00 0.00 C ATOM 14 O ASP A 3 -13.588 3.782 5.867 1.00 0.00 O ATOM 15 CB ASP A 3 -12.246 5.434 8.176 1.00 0.00 C ATOM 16 CG ASP A 3 -12.454 6.911 8.516 1.00 0.00 C ATOM 17 OD1 ASP A 3 -13.403 7.487 8.012 1.00 0.00 O ATOM 18 OD2 ASP A 3 -11.660 7.442 9.275 1.00 0.00 O ATOM 0 H ASP A 3 -14.203 3.150 9.355 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.356 5.309 8.609 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.645 4.953 8.948 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.697 5.339 7.239 1.00 0.00 H new ATOM 23 N LYS A 4 -14.830 5.568 6.134 1.00 0.00 N ATOM 24 CA LYS A 4 -15.255 5.539 4.703 1.00 0.00 C ATOM 25 C LYS A 4 -14.281 6.372 3.866 1.00 0.00 C ATOM 26 O LYS A 4 -14.599 6.802 2.776 1.00 0.00 O ATOM 27 CB LYS A 4 -16.660 6.128 4.556 1.00 0.00 C ATOM 28 CG LYS A 4 -17.643 5.398 5.480 1.00 0.00 C ATOM 29 CD LYS A 4 -18.336 4.272 4.710 1.00 0.00 C ATOM 30 CE LYS A 4 -19.527 4.838 3.936 1.00 0.00 C ATOM 31 NZ LYS A 4 -20.747 4.781 4.792 1.00 0.00 N ATOM 0 H LYS A 4 -15.223 6.328 6.689 1.00 0.00 H new ATOM 0 HA LYS A 4 -15.258 4.505 4.359 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.643 7.191 4.798 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.991 6.042 3.521 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.113 4.990 6.341 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -18.384 6.099 5.864 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.633 3.801 4.023 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.672 3.499 5.401 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.326 5.867 3.639 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.684 4.267 3.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -21.558 5.166 4.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.941 3.794 5.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.594 5.344 5.653 1.00 0.00 H new ATOM 45 N GLU A 5 -13.106 6.621 4.367 1.00 0.00 N ATOM 46 CA GLU A 5 -12.134 7.441 3.591 1.00 0.00 C ATOM 47 C GLU A 5 -10.746 7.316 4.213 1.00 0.00 C ATOM 48 O GLU A 5 -10.077 8.299 4.461 1.00 0.00 O ATOM 49 CB GLU A 5 -12.572 8.906 3.617 1.00 0.00 C ATOM 50 CG GLU A 5 -12.570 9.414 5.060 1.00 0.00 C ATOM 51 CD GLU A 5 -13.889 10.130 5.353 1.00 0.00 C ATOM 52 OE1 GLU A 5 -14.268 10.979 4.563 1.00 0.00 O ATOM 53 OE2 GLU A 5 -14.498 9.817 6.363 1.00 0.00 O ATOM 0 H GLU A 5 -12.776 6.295 5.275 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.102 7.086 2.561 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.899 9.509 3.007 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.568 9.006 3.186 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -12.436 8.581 5.750 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.733 10.094 5.216 1.00 0.00 H new ATOM 60 N LEU A 6 -10.305 6.116 4.467 1.00 0.00 N ATOM 61 CA LEU A 6 -8.964 5.936 5.068 1.00 0.00 C ATOM 62 C LEU A 6 -7.913 6.532 4.126 1.00 0.00 C ATOM 63 O LEU A 6 -7.683 6.031 3.053 1.00 0.00 O ATOM 64 CB LEU A 6 -8.715 4.441 5.267 1.00 0.00 C ATOM 65 CG LEU A 6 -7.355 4.214 5.924 1.00 0.00 C ATOM 66 CD1 LEU A 6 -7.323 4.862 7.308 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.118 2.714 6.066 1.00 0.00 C ATOM 0 H LEU A 6 -10.819 5.254 4.283 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.902 6.442 6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.502 4.014 5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.753 3.928 4.306 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.577 4.661 5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.349 4.693 7.766 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.498 5.934 7.212 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.099 4.422 7.934 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.149 2.541 6.534 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.903 2.279 6.685 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.133 2.248 5.081 1.00 0.00 H new ATOM 79 N LYS A 7 -7.290 7.610 4.508 1.00 0.00 N ATOM 80 CA LYS A 7 -6.275 8.249 3.620 1.00 0.00 C ATOM 81 C LYS A 7 -5.347 7.197 2.992 1.00 0.00 C ATOM 82 O LYS A 7 -4.461 6.668 3.642 1.00 0.00 O ATOM 83 CB LYS A 7 -5.443 9.233 4.440 1.00 0.00 C ATOM 84 CG LYS A 7 -6.112 10.610 4.426 1.00 0.00 C ATOM 85 CD LYS A 7 -5.383 11.542 5.395 1.00 0.00 C ATOM 86 CE LYS A 7 -6.051 12.918 5.381 1.00 0.00 C ATOM 87 NZ LYS A 7 -5.881 13.540 4.036 1.00 0.00 N ATOM 0 H LYS A 7 -7.439 8.080 5.401 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.796 8.770 2.816 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.345 8.876 5.465 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.436 9.303 4.029 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.090 11.026 3.419 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.160 10.520 4.711 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.405 11.126 6.402 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.335 11.632 5.110 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.111 12.822 5.618 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.610 13.556 6.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.182 14.535 4.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.881 13.491 3.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.462 13.029 3.341 1.00 0.00 H new ATOM 101 N PHE A 8 -5.531 6.912 1.724 1.00 0.00 N ATOM 102 CA PHE A 8 -4.655 5.922 1.034 1.00 0.00 C ATOM 103 C PHE A 8 -3.633 6.674 0.180 1.00 0.00 C ATOM 104 O PHE A 8 -3.880 7.776 -0.265 1.00 0.00 O ATOM 105 CB PHE A 8 -5.482 5.059 0.067 1.00 0.00 C ATOM 106 CG PHE A 8 -6.274 3.994 0.784 1.00 0.00 C ATOM 107 CD1 PHE A 8 -5.704 2.745 1.041 1.00 0.00 C ATOM 108 CD2 PHE A 8 -7.592 4.251 1.167 1.00 0.00 C ATOM 109 CE1 PHE A 8 -6.454 1.753 1.693 1.00 0.00 C ATOM 110 CE2 PHE A 8 -8.337 3.264 1.817 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.769 2.017 2.082 1.00 0.00 C ATOM 0 H PHE A 8 -6.255 7.327 1.138 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.177 5.301 1.791 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.163 5.698 -0.495 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.816 4.588 -0.656 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.687 2.542 0.738 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -8.036 5.214 0.961 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -6.014 0.787 1.893 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.355 3.466 2.115 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.346 1.257 2.588 1.00 0.00 H new ATOM 121 N LEU A 9 -2.511 6.067 -0.084 1.00 0.00 N ATOM 122 CA LEU A 9 -1.488 6.717 -0.956 1.00 0.00 C ATOM 123 C LEU A 9 -1.034 5.688 -1.997 1.00 0.00 C ATOM 124 O LEU A 9 -0.282 4.781 -1.698 1.00 0.00 O ATOM 125 CB LEU A 9 -0.299 7.193 -0.108 1.00 0.00 C ATOM 126 CG LEU A 9 0.859 7.613 -1.021 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.367 8.636 -2.044 1.00 0.00 C ATOM 128 CD2 LEU A 9 1.982 8.235 -0.190 1.00 0.00 C ATOM 0 H LEU A 9 -2.255 5.144 0.267 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.910 7.589 -1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.601 8.032 0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.025 6.395 0.560 1.00 0.00 H new ATOM 0 HG LEU A 9 1.236 6.730 -1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.194 8.931 -2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.426 8.194 -2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.019 9.513 -1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.800 8.530 -0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.603 9.112 0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.344 7.507 0.535 1.00 0.00 H new ATOM 140 N VAL A 10 -1.501 5.807 -3.215 1.00 0.00 N ATOM 141 CA VAL A 10 -1.109 4.818 -4.263 1.00 0.00 C ATOM 142 C VAL A 10 0.148 5.296 -4.993 1.00 0.00 C ATOM 143 O VAL A 10 0.129 6.286 -5.696 1.00 0.00 O ATOM 144 CB VAL A 10 -2.254 4.658 -5.265 1.00 0.00 C ATOM 145 CG1 VAL A 10 -3.268 3.649 -4.726 1.00 0.00 C ATOM 146 CG2 VAL A 10 -2.946 6.006 -5.480 1.00 0.00 C ATOM 0 H VAL A 10 -2.134 6.543 -3.527 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.900 3.859 -3.789 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.852 4.302 -6.214 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.083 3.536 -5.440 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.779 2.686 -4.577 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.665 4.005 -3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.761 5.887 -6.194 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.345 6.366 -4.531 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.226 6.727 -5.868 1.00 0.00 H new ATOM 156 N VAL A 11 1.240 4.596 -4.825 1.00 0.00 N ATOM 157 CA VAL A 11 2.504 4.994 -5.491 1.00 0.00 C ATOM 158 C VAL A 11 2.766 4.093 -6.698 1.00 0.00 C ATOM 159 O VAL A 11 3.683 3.296 -6.700 1.00 0.00 O ATOM 160 CB VAL A 11 3.650 4.875 -4.486 1.00 0.00 C ATOM 161 CG1 VAL A 11 4.956 5.379 -5.107 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.306 5.719 -3.263 1.00 0.00 C ATOM 0 H VAL A 11 1.305 3.758 -4.248 1.00 0.00 H new ATOM 0 HA VAL A 11 2.428 6.024 -5.840 1.00 0.00 H new ATOM 0 HB VAL A 11 3.783 3.831 -4.202 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.763 5.288 -4.380 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.193 4.784 -5.989 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.843 6.424 -5.395 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.112 5.647 -2.533 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.179 6.759 -3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.380 5.354 -2.818 1.00 0.00 H new ATOM 172 N ASP A 12 1.965 4.225 -7.725 1.00 0.00 N ATOM 173 CA ASP A 12 2.149 3.392 -8.950 1.00 0.00 C ATOM 174 C ASP A 12 2.535 4.299 -10.121 1.00 0.00 C ATOM 175 O ASP A 12 1.908 5.310 -10.367 1.00 0.00 O ATOM 176 CB ASP A 12 0.840 2.671 -9.274 1.00 0.00 C ATOM 177 CG ASP A 12 0.501 1.695 -8.145 1.00 0.00 C ATOM 178 OD1 ASP A 12 1.131 0.652 -8.083 1.00 0.00 O ATOM 179 OD2 ASP A 12 -0.380 2.008 -7.362 1.00 0.00 O ATOM 0 H ASP A 12 1.185 4.881 -7.766 1.00 0.00 H new ATOM 0 HA ASP A 12 2.936 2.657 -8.781 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.035 3.395 -9.397 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.933 2.134 -10.218 1.00 0.00 H new ATOM 184 N ASP A 13 3.564 3.949 -10.844 1.00 0.00 N ATOM 185 CA ASP A 13 3.988 4.797 -11.994 1.00 0.00 C ATOM 186 C ASP A 13 3.054 4.557 -13.183 1.00 0.00 C ATOM 187 O ASP A 13 3.149 5.215 -14.200 1.00 0.00 O ATOM 188 CB ASP A 13 5.421 4.437 -12.391 1.00 0.00 C ATOM 189 CG ASP A 13 5.845 5.283 -13.592 1.00 0.00 C ATOM 190 OD1 ASP A 13 5.403 6.418 -13.678 1.00 0.00 O ATOM 191 OD2 ASP A 13 6.604 4.785 -14.405 1.00 0.00 O ATOM 0 H ASP A 13 4.128 3.114 -10.688 1.00 0.00 H new ATOM 0 HA ASP A 13 3.942 5.847 -11.705 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.096 4.611 -11.553 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.486 3.377 -12.638 1.00 0.00 H new ATOM 196 N PHE A 14 2.154 3.619 -13.066 1.00 0.00 N ATOM 197 CA PHE A 14 1.219 3.342 -14.194 1.00 0.00 C ATOM 198 C PHE A 14 0.079 4.362 -14.174 1.00 0.00 C ATOM 199 O PHE A 14 -0.380 4.774 -13.126 1.00 0.00 O ATOM 200 CB PHE A 14 0.646 1.932 -14.048 1.00 0.00 C ATOM 201 CG PHE A 14 1.013 1.111 -15.263 1.00 0.00 C ATOM 202 CD1 PHE A 14 0.602 1.527 -16.535 1.00 0.00 C ATOM 203 CD2 PHE A 14 1.763 -0.063 -15.118 1.00 0.00 C ATOM 204 CE1 PHE A 14 0.940 0.769 -17.663 1.00 0.00 C ATOM 205 CE2 PHE A 14 2.102 -0.819 -16.246 1.00 0.00 C ATOM 206 CZ PHE A 14 1.691 -0.404 -17.518 1.00 0.00 C ATOM 0 H PHE A 14 2.026 3.034 -12.241 1.00 0.00 H new ATOM 0 HA PHE A 14 1.757 3.418 -15.139 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.036 1.461 -13.146 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.438 1.978 -13.940 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.024 2.433 -16.646 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.079 -0.385 -14.137 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.622 1.089 -18.644 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.681 -1.724 -16.135 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.953 -0.988 -18.388 1.00 0.00 H new ATOM 216 N SER A 15 -0.381 4.775 -15.324 1.00 0.00 N ATOM 217 CA SER A 15 -1.490 5.768 -15.372 1.00 0.00 C ATOM 218 C SER A 15 -2.831 5.036 -15.467 1.00 0.00 C ATOM 219 O SER A 15 -3.853 5.633 -15.740 1.00 0.00 O ATOM 220 CB SER A 15 -1.314 6.671 -16.593 1.00 0.00 C ATOM 221 OG SER A 15 -0.727 7.900 -16.187 1.00 0.00 O ATOM 0 H SER A 15 -0.036 4.467 -16.233 1.00 0.00 H new ATOM 0 HA SER A 15 -1.472 6.374 -14.466 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.683 6.181 -17.334 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.279 6.854 -17.066 1.00 0.00 H new ATOM 0 HG SER A 15 -0.611 8.481 -16.968 1.00 0.00 H new ATOM 227 N THR A 16 -2.828 3.747 -15.242 1.00 0.00 N ATOM 228 CA THR A 16 -4.095 2.961 -15.313 1.00 0.00 C ATOM 229 C THR A 16 -4.206 2.073 -14.074 1.00 0.00 C ATOM 230 O THR A 16 -5.287 1.788 -13.595 1.00 0.00 O ATOM 231 CB THR A 16 -4.082 2.083 -16.569 1.00 0.00 C ATOM 232 OG1 THR A 16 -3.521 0.817 -16.252 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.245 2.757 -17.657 1.00 0.00 C ATOM 0 H THR A 16 -1.997 3.203 -15.011 1.00 0.00 H new ATOM 0 HA THR A 16 -4.946 3.641 -15.355 1.00 0.00 H new ATOM 0 HB THR A 16 -5.102 1.949 -16.931 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.513 0.253 -17.053 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.237 2.131 -18.550 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.677 3.728 -17.899 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.224 2.892 -17.299 1.00 0.00 H new ATOM 241 N MET A 17 -3.096 1.635 -13.546 1.00 0.00 N ATOM 242 CA MET A 17 -3.137 0.770 -12.334 1.00 0.00 C ATOM 243 C MET A 17 -3.908 1.489 -11.227 1.00 0.00 C ATOM 244 O MET A 17 -4.569 0.871 -10.415 1.00 0.00 O ATOM 245 CB MET A 17 -1.710 0.489 -11.859 1.00 0.00 C ATOM 246 CG MET A 17 -1.750 -0.148 -10.469 1.00 0.00 C ATOM 247 SD MET A 17 -0.197 -1.024 -10.162 1.00 0.00 S ATOM 248 CE MET A 17 -0.822 -2.156 -8.897 1.00 0.00 C ATOM 0 H MET A 17 -2.162 1.839 -13.902 1.00 0.00 H new ATOM 0 HA MET A 17 -3.632 -0.171 -12.574 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.206 -0.176 -12.561 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.136 1.415 -11.830 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.903 0.619 -9.710 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.590 -0.839 -10.398 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.014 -2.804 -8.557 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.206 -1.583 -8.053 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.623 -2.764 -9.317 1.00 0.00 H new ATOM 258 N ARG A 18 -3.831 2.790 -11.188 1.00 0.00 N ATOM 259 CA ARG A 18 -4.560 3.548 -10.132 1.00 0.00 C ATOM 260 C ARG A 18 -6.064 3.456 -10.387 1.00 0.00 C ATOM 261 O ARG A 18 -6.844 3.259 -9.479 1.00 0.00 O ATOM 262 CB ARG A 18 -4.143 5.021 -10.157 1.00 0.00 C ATOM 263 CG ARG A 18 -2.801 5.174 -10.880 1.00 0.00 C ATOM 264 CD ARG A 18 -2.264 6.593 -10.671 1.00 0.00 C ATOM 265 NE ARG A 18 -1.922 7.193 -11.992 1.00 0.00 N ATOM 266 CZ ARG A 18 -2.577 8.235 -12.424 1.00 0.00 C ATOM 267 NH1 ARG A 18 -2.770 9.256 -11.635 1.00 0.00 N ATOM 268 NH2 ARG A 18 -3.038 8.256 -13.644 1.00 0.00 N ATOM 0 H ARG A 18 -3.295 3.361 -11.841 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.317 3.119 -9.160 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.906 5.615 -10.660 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.062 5.402 -9.139 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.086 4.444 -10.500 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.925 4.974 -11.944 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.010 7.205 -10.164 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.382 6.569 -10.031 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.176 6.789 -12.558 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.409 9.239 -10.681 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.282 10.071 -11.972 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.886 7.458 -14.260 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.550 9.071 -13.982 1.00 0.00 H new ATOM 282 N ARG A 19 -6.478 3.607 -11.614 1.00 0.00 N ATOM 283 CA ARG A 19 -7.934 3.539 -11.921 1.00 0.00 C ATOM 284 C ARG A 19 -8.491 2.179 -11.497 1.00 0.00 C ATOM 285 O ARG A 19 -9.667 2.037 -11.225 1.00 0.00 O ATOM 286 CB ARG A 19 -8.148 3.732 -13.424 1.00 0.00 C ATOM 287 CG ARG A 19 -8.593 5.169 -13.696 1.00 0.00 C ATOM 288 CD ARG A 19 -8.489 5.460 -15.193 1.00 0.00 C ATOM 289 NE ARG A 19 -9.371 4.524 -15.945 1.00 0.00 N ATOM 290 CZ ARG A 19 -8.853 3.678 -16.793 1.00 0.00 C ATOM 291 NH1 ARG A 19 -7.915 4.068 -17.612 1.00 0.00 N ATOM 292 NH2 ARG A 19 -9.273 2.443 -16.822 1.00 0.00 N ATOM 0 H ARG A 19 -5.872 3.774 -12.417 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.453 4.326 -11.374 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.226 3.517 -13.964 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.900 3.032 -13.788 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.619 5.314 -13.357 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.971 5.866 -13.135 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.780 6.491 -15.395 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.457 5.349 -15.525 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.380 4.544 -15.797 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.587 5.034 -17.589 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.510 3.407 -18.275 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.006 2.139 -16.182 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.868 1.782 -17.485 1.00 0.00 H new ATOM 306 N ILE A 20 -7.659 1.177 -11.443 1.00 0.00 N ATOM 307 CA ILE A 20 -8.143 -0.174 -11.044 1.00 0.00 C ATOM 308 C ILE A 20 -8.453 -0.191 -9.545 1.00 0.00 C ATOM 309 O ILE A 20 -9.498 -0.647 -9.123 1.00 0.00 O ATOM 310 CB ILE A 20 -7.055 -1.210 -11.358 1.00 0.00 C ATOM 311 CG1 ILE A 20 -7.247 -1.729 -12.785 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.141 -2.386 -10.376 1.00 0.00 C ATOM 313 CD1 ILE A 20 -5.983 -2.462 -13.237 1.00 0.00 C ATOM 0 H ILE A 20 -6.664 1.235 -11.658 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.051 -0.415 -11.597 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.078 -0.737 -11.262 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.104 -2.401 -12.826 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.460 -0.899 -13.459 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.364 -3.113 -10.610 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.002 -2.021 -9.358 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.119 -2.860 -10.461 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.120 -2.831 -14.253 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.136 -1.776 -13.211 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.791 -3.301 -12.569 1.00 0.00 H new ATOM 325 N VAL A 21 -7.546 0.281 -8.736 1.00 0.00 N ATOM 326 CA VAL A 21 -7.786 0.263 -7.265 1.00 0.00 C ATOM 327 C VAL A 21 -8.689 1.427 -6.853 1.00 0.00 C ATOM 328 O VAL A 21 -9.448 1.324 -5.912 1.00 0.00 O ATOM 329 CB VAL A 21 -6.455 0.355 -6.521 1.00 0.00 C ATOM 330 CG1 VAL A 21 -6.300 -0.876 -5.628 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.301 0.401 -7.525 1.00 0.00 C ATOM 0 H VAL A 21 -6.652 0.677 -9.027 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.282 -0.672 -7.006 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.438 1.261 -5.915 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.352 -0.820 -5.092 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.121 -0.911 -4.911 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.316 -1.776 -6.243 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.354 0.467 -6.989 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.312 -0.504 -8.133 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.414 1.273 -8.169 1.00 0.00 H new ATOM 341 N ARG A 22 -8.628 2.528 -7.547 1.00 0.00 N ATOM 342 CA ARG A 22 -9.503 3.677 -7.180 1.00 0.00 C ATOM 343 C ARG A 22 -10.945 3.188 -7.103 1.00 0.00 C ATOM 344 O ARG A 22 -11.642 3.401 -6.131 1.00 0.00 O ATOM 345 CB ARG A 22 -9.406 4.750 -8.259 1.00 0.00 C ATOM 346 CG ARG A 22 -8.622 5.951 -7.728 1.00 0.00 C ATOM 347 CD ARG A 22 -8.336 6.917 -8.879 1.00 0.00 C ATOM 348 NE ARG A 22 -8.759 8.292 -8.490 1.00 0.00 N ATOM 349 CZ ARG A 22 -8.003 9.009 -7.705 1.00 0.00 C ATOM 350 NH1 ARG A 22 -7.064 9.760 -8.212 1.00 0.00 N ATOM 351 NH2 ARG A 22 -8.184 8.974 -6.413 1.00 0.00 N ATOM 0 H ARG A 22 -8.015 2.683 -8.347 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.190 4.089 -6.221 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.914 4.345 -9.144 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.405 5.062 -8.565 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.192 6.456 -6.948 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.687 5.619 -7.276 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.273 6.907 -9.121 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.870 6.600 -9.775 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.639 8.672 -8.837 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.921 9.786 -9.222 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.473 10.321 -7.599 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.917 8.386 -6.016 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.593 9.535 -5.800 1.00 0.00 H new ATOM 365 N ASN A 23 -11.386 2.527 -8.133 1.00 0.00 N ATOM 366 CA ASN A 23 -12.763 2.003 -8.169 1.00 0.00 C ATOM 367 C ASN A 23 -12.908 0.882 -7.150 1.00 0.00 C ATOM 368 O ASN A 23 -13.708 0.943 -6.242 1.00 0.00 O ATOM 369 CB ASN A 23 -12.985 1.432 -9.557 1.00 0.00 C ATOM 370 CG ASN A 23 -14.331 1.901 -10.112 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.313 1.944 -9.397 1.00 0.00 O ATOM 372 ND2 ASN A 23 -14.419 2.257 -11.364 1.00 0.00 N ATOM 0 H ASN A 23 -10.833 2.327 -8.966 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.482 2.789 -7.940 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.180 1.747 -10.221 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -12.959 0.343 -9.519 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -15.312 2.572 -11.743 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.595 2.221 -11.964 1.00 0.00 H new ATOM 379 N LEU A 24 -12.137 -0.151 -7.319 1.00 0.00 N ATOM 380 CA LEU A 24 -12.211 -1.311 -6.388 1.00 0.00 C ATOM 381 C LEU A 24 -12.260 -0.809 -4.938 1.00 0.00 C ATOM 382 O LEU A 24 -12.946 -1.369 -4.106 1.00 0.00 O ATOM 383 CB LEU A 24 -10.979 -2.201 -6.622 1.00 0.00 C ATOM 384 CG LEU A 24 -11.194 -3.628 -6.049 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.735 -4.661 -7.083 1.00 0.00 C ATOM 386 CD2 LEU A 24 -10.394 -3.863 -4.755 1.00 0.00 C ATOM 0 H LEU A 24 -11.452 -0.244 -8.069 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.114 -1.892 -6.572 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.771 -2.264 -7.690 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.106 -1.747 -6.153 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.256 -3.730 -5.824 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.884 -5.665 -6.685 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.316 -4.543 -7.998 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.678 -4.511 -7.303 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.577 -4.875 -4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.330 -3.737 -4.957 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.707 -3.144 -3.998 1.00 0.00 H new ATOM 398 N LEU A 25 -11.564 0.255 -4.630 1.00 0.00 N ATOM 399 CA LEU A 25 -11.610 0.794 -3.238 1.00 0.00 C ATOM 400 C LEU A 25 -12.955 1.487 -3.038 1.00 0.00 C ATOM 401 O LEU A 25 -13.675 1.211 -2.100 1.00 0.00 O ATOM 402 CB LEU A 25 -10.481 1.810 -3.026 1.00 0.00 C ATOM 403 CG LEU A 25 -9.212 1.095 -2.556 1.00 0.00 C ATOM 404 CD1 LEU A 25 -7.990 1.918 -2.963 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.232 0.948 -1.029 1.00 0.00 C ATOM 0 H LEU A 25 -10.969 0.771 -5.278 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.487 -0.020 -2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.284 2.345 -3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.784 2.553 -2.288 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.166 0.107 -3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.084 1.412 -2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.968 2.025 -4.047 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.045 2.904 -2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.326 0.438 -0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.280 1.935 -0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.104 0.366 -0.731 1.00 0.00 H new ATOM 417 N LYS A 26 -13.304 2.378 -3.925 1.00 0.00 N ATOM 418 CA LYS A 26 -14.605 3.079 -3.797 1.00 0.00 C ATOM 419 C LYS A 26 -15.717 2.040 -3.650 1.00 0.00 C ATOM 420 O LYS A 26 -16.693 2.256 -2.961 1.00 0.00 O ATOM 421 CB LYS A 26 -14.857 3.931 -5.043 1.00 0.00 C ATOM 422 CG LYS A 26 -16.043 4.863 -4.792 1.00 0.00 C ATOM 423 CD LYS A 26 -16.438 5.553 -6.100 1.00 0.00 C ATOM 424 CE LYS A 26 -17.721 4.923 -6.643 1.00 0.00 C ATOM 425 NZ LYS A 26 -17.617 3.439 -6.566 1.00 0.00 N ATOM 0 H LYS A 26 -12.742 2.648 -4.732 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.589 3.727 -2.921 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -13.968 4.513 -5.284 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.060 3.289 -5.900 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.887 4.297 -4.398 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -15.781 5.608 -4.041 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.588 6.619 -5.930 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.635 5.456 -6.831 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -18.580 5.268 -6.068 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -17.883 5.234 -7.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -18.417 3.008 -7.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -16.725 3.130 -7.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -17.636 3.141 -5.570 1.00 0.00 H new ATOM 439 N GLU A 27 -15.573 0.909 -4.290 1.00 0.00 N ATOM 440 CA GLU A 27 -16.617 -0.139 -4.180 1.00 0.00 C ATOM 441 C GLU A 27 -16.946 -0.352 -2.705 1.00 0.00 C ATOM 442 O GLU A 27 -18.088 -0.530 -2.329 1.00 0.00 O ATOM 443 CB GLU A 27 -16.101 -1.445 -4.787 1.00 0.00 C ATOM 444 CG GLU A 27 -17.268 -2.215 -5.408 1.00 0.00 C ATOM 445 CD GLU A 27 -16.760 -3.538 -5.982 1.00 0.00 C ATOM 446 OE1 GLU A 27 -16.171 -3.510 -7.051 1.00 0.00 O ATOM 447 OE2 GLU A 27 -16.970 -4.558 -5.346 1.00 0.00 O ATOM 0 H GLU A 27 -14.777 0.671 -4.882 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.513 0.172 -4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.347 -1.233 -5.545 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.620 -2.050 -4.019 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -18.034 -2.403 -4.656 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.732 -1.620 -6.194 1.00 0.00 H new ATOM 454 N LEU A 28 -15.951 -0.320 -1.864 1.00 0.00 N ATOM 455 CA LEU A 28 -16.200 -0.507 -0.410 1.00 0.00 C ATOM 456 C LEU A 28 -16.787 0.783 0.159 1.00 0.00 C ATOM 457 O LEU A 28 -17.919 0.821 0.601 1.00 0.00 O ATOM 458 CB LEU A 28 -14.879 -0.825 0.298 1.00 0.00 C ATOM 459 CG LEU A 28 -14.793 -2.327 0.594 1.00 0.00 C ATOM 460 CD1 LEU A 28 -15.831 -2.714 1.652 1.00 0.00 C ATOM 461 CD2 LEU A 28 -15.059 -3.115 -0.693 1.00 0.00 C ATOM 0 H LEU A 28 -14.975 -0.172 -2.122 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.897 -1.331 -0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -14.039 -0.520 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.808 -0.258 1.226 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.797 -2.561 0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.762 -3.783 1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -15.641 -2.157 2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -16.830 -2.478 1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.998 -4.183 -0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -16.054 -2.874 -1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -14.314 -2.849 -1.443 1.00 0.00 H new ATOM 473 N GLY A 29 -16.027 1.840 0.148 1.00 0.00 N ATOM 474 CA GLY A 29 -16.533 3.126 0.679 1.00 0.00 C ATOM 475 C GLY A 29 -15.360 4.049 1.016 1.00 0.00 C ATOM 476 O GLY A 29 -15.368 4.720 2.025 1.00 0.00 O ATOM 0 H GLY A 29 -15.072 1.865 -0.209 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.182 3.602 -0.056 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.136 2.949 1.570 1.00 0.00 H new ATOM 480 N PHE A 30 -14.357 4.087 0.174 1.00 0.00 N ATOM 481 CA PHE A 30 -13.176 4.969 0.435 1.00 0.00 C ATOM 482 C PHE A 30 -13.122 6.069 -0.634 1.00 0.00 C ATOM 483 O PHE A 30 -13.285 5.805 -1.809 1.00 0.00 O ATOM 484 CB PHE A 30 -11.893 4.133 0.358 1.00 0.00 C ATOM 485 CG PHE A 30 -11.868 3.114 1.472 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.803 3.534 2.802 1.00 0.00 C ATOM 487 CD2 PHE A 30 -11.900 1.745 1.171 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.768 2.589 3.835 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.867 0.800 2.203 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.800 1.223 3.535 1.00 0.00 C ATOM 0 H PHE A 30 -14.305 3.543 -0.687 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.265 5.418 1.424 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.836 3.629 -0.607 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.021 4.783 0.430 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.780 4.588 3.034 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.950 1.419 0.142 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.716 2.915 4.863 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.893 -0.255 1.971 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.773 0.495 4.332 1.00 0.00 H new ATOM 500 N ASN A 31 -12.899 7.299 -0.245 1.00 0.00 N ATOM 501 CA ASN A 31 -12.843 8.394 -1.255 1.00 0.00 C ATOM 502 C ASN A 31 -11.891 9.509 -0.773 1.00 0.00 C ATOM 503 O ASN A 31 -12.292 10.626 -0.510 1.00 0.00 O ATOM 504 CB ASN A 31 -14.263 8.937 -1.477 1.00 0.00 C ATOM 505 CG ASN A 31 -14.687 8.671 -2.924 1.00 0.00 C ATOM 506 OD1 ASN A 31 -14.491 7.588 -3.437 1.00 0.00 O ATOM 507 ND2 ASN A 31 -15.262 9.623 -3.607 1.00 0.00 N ATOM 0 H ASN A 31 -12.754 7.589 0.722 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.457 8.012 -2.200 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.959 8.459 -0.788 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.292 10.006 -1.268 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.547 9.457 -4.572 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.426 10.532 -3.175 1.00 0.00 H new ATOM 514 N ASN A 32 -10.623 9.210 -0.665 1.00 0.00 N ATOM 515 CA ASN A 32 -9.636 10.239 -0.210 1.00 0.00 C ATOM 516 C ASN A 32 -8.224 9.659 -0.316 1.00 0.00 C ATOM 517 O ASN A 32 -7.752 8.999 0.589 1.00 0.00 O ATOM 518 CB ASN A 32 -9.914 10.610 1.248 1.00 0.00 C ATOM 519 CG ASN A 32 -8.950 11.715 1.685 1.00 0.00 C ATOM 520 OD1 ASN A 32 -8.101 12.133 0.923 1.00 0.00 O ATOM 521 ND2 ASN A 32 -9.045 12.209 2.889 1.00 0.00 N ATOM 0 H ASN A 32 -10.225 8.294 -0.873 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.724 11.128 -0.835 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.945 10.947 1.359 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.794 9.735 1.886 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.407 12.946 3.190 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -9.758 11.859 3.529 1.00 0.00 H new ATOM 528 N VAL A 33 -7.546 9.881 -1.415 1.00 0.00 N ATOM 529 CA VAL A 33 -6.168 9.316 -1.562 1.00 0.00 C ATOM 530 C VAL A 33 -5.272 10.276 -2.348 1.00 0.00 C ATOM 531 O VAL A 33 -5.696 11.328 -2.785 1.00 0.00 O ATOM 532 CB VAL A 33 -6.242 7.973 -2.307 1.00 0.00 C ATOM 533 CG1 VAL A 33 -7.593 7.306 -2.045 1.00 0.00 C ATOM 534 CG2 VAL A 33 -6.085 8.189 -3.818 1.00 0.00 C ATOM 0 H VAL A 33 -7.883 10.424 -2.210 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.745 9.171 -0.568 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.435 7.336 -1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.638 6.355 -2.576 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.711 7.131 -0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.394 7.956 -2.396 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.140 7.229 -4.330 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.883 8.838 -4.178 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.120 8.654 -4.021 1.00 0.00 H new ATOM 544 N GLU A 34 -4.038 9.893 -2.550 1.00 0.00 N ATOM 545 CA GLU A 34 -3.096 10.743 -3.333 1.00 0.00 C ATOM 546 C GLU A 34 -2.290 9.832 -4.260 1.00 0.00 C ATOM 547 O GLU A 34 -2.586 8.659 -4.391 1.00 0.00 O ATOM 548 CB GLU A 34 -2.144 11.500 -2.387 1.00 0.00 C ATOM 549 CG GLU A 34 -2.611 12.953 -2.168 1.00 0.00 C ATOM 550 CD GLU A 34 -1.402 13.827 -1.824 1.00 0.00 C ATOM 551 OE1 GLU A 34 -0.424 13.765 -2.549 1.00 0.00 O ATOM 552 OE2 GLU A 34 -1.477 14.545 -0.840 1.00 0.00 O ATOM 0 H GLU A 34 -3.641 9.020 -2.203 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.655 11.477 -3.913 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.094 10.983 -1.428 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.137 11.498 -2.803 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.102 13.329 -3.066 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.345 12.994 -1.363 1.00 0.00 H new ATOM 559 N GLU A 35 -1.286 10.359 -4.911 1.00 0.00 N ATOM 560 CA GLU A 35 -0.481 9.520 -5.844 1.00 0.00 C ATOM 561 C GLU A 35 1.007 9.857 -5.731 1.00 0.00 C ATOM 562 O GLU A 35 1.388 10.953 -5.372 1.00 0.00 O ATOM 563 CB GLU A 35 -0.940 9.785 -7.281 1.00 0.00 C ATOM 564 CG GLU A 35 -2.239 9.026 -7.558 1.00 0.00 C ATOM 565 CD GLU A 35 -2.960 9.669 -8.743 1.00 0.00 C ATOM 566 OE1 GLU A 35 -2.358 10.505 -9.396 1.00 0.00 O ATOM 567 OE2 GLU A 35 -4.105 9.315 -8.978 1.00 0.00 O ATOM 0 H GLU A 35 -0.990 11.332 -4.836 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.627 8.472 -5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.093 10.854 -7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.168 9.471 -7.983 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.023 7.980 -7.774 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.879 9.044 -6.676 1.00 0.00 H new ATOM 574 N ALA A 36 1.845 8.912 -6.059 1.00 0.00 N ATOM 575 CA ALA A 36 3.316 9.142 -6.003 1.00 0.00 C ATOM 576 C ALA A 36 3.977 8.269 -7.069 1.00 0.00 C ATOM 577 O ALA A 36 3.311 7.737 -7.936 1.00 0.00 O ATOM 578 CB ALA A 36 3.848 8.773 -4.617 1.00 0.00 C ATOM 0 H ALA A 36 1.569 7.979 -6.367 1.00 0.00 H new ATOM 0 HA ALA A 36 3.541 10.192 -6.189 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.924 8.944 -4.583 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.359 9.390 -3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.641 7.722 -4.416 1.00 0.00 H new ATOM 584 N GLU A 37 5.274 8.123 -7.027 1.00 0.00 N ATOM 585 CA GLU A 37 5.963 7.288 -8.057 1.00 0.00 C ATOM 586 C GLU A 37 7.079 6.447 -7.426 1.00 0.00 C ATOM 587 O GLU A 37 7.618 5.562 -8.059 1.00 0.00 O ATOM 588 CB GLU A 37 6.568 8.205 -9.125 1.00 0.00 C ATOM 589 CG GLU A 37 5.459 9.029 -9.784 1.00 0.00 C ATOM 590 CD GLU A 37 5.876 9.400 -11.208 1.00 0.00 C ATOM 591 OE1 GLU A 37 6.292 8.511 -11.933 1.00 0.00 O ATOM 592 OE2 GLU A 37 5.773 10.567 -11.549 1.00 0.00 O ATOM 0 H GLU A 37 5.886 8.543 -6.327 1.00 0.00 H new ATOM 0 HA GLU A 37 5.231 6.615 -8.504 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.307 8.867 -8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.088 7.611 -9.876 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.530 8.459 -9.803 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.268 9.931 -9.203 1.00 0.00 H new ATOM 599 N ASP A 38 7.429 6.702 -6.191 1.00 0.00 N ATOM 600 CA ASP A 38 8.515 5.898 -5.549 1.00 0.00 C ATOM 601 C ASP A 38 8.647 6.290 -4.076 1.00 0.00 C ATOM 602 O ASP A 38 7.792 6.948 -3.520 1.00 0.00 O ATOM 603 CB ASP A 38 9.849 6.169 -6.257 1.00 0.00 C ATOM 604 CG ASP A 38 10.465 7.457 -5.709 1.00 0.00 C ATOM 605 OD1 ASP A 38 9.805 8.481 -5.775 1.00 0.00 O ATOM 606 OD2 ASP A 38 11.587 7.399 -5.234 1.00 0.00 O ATOM 0 H ASP A 38 7.015 7.425 -5.603 1.00 0.00 H new ATOM 0 HA ASP A 38 8.264 4.840 -5.628 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.531 5.333 -6.103 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.691 6.258 -7.332 1.00 0.00 H new ATOM 611 N GLY A 39 9.719 5.892 -3.443 1.00 0.00 N ATOM 612 CA GLY A 39 9.913 6.242 -2.007 1.00 0.00 C ATOM 613 C GLY A 39 10.294 7.715 -1.890 1.00 0.00 C ATOM 614 O GLY A 39 9.797 8.427 -1.042 1.00 0.00 O ATOM 0 H GLY A 39 10.468 5.339 -3.859 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.999 6.046 -1.447 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.693 5.618 -1.572 1.00 0.00 H new ATOM 618 N VAL A 40 11.161 8.190 -2.739 1.00 0.00 N ATOM 619 CA VAL A 40 11.541 9.625 -2.666 1.00 0.00 C ATOM 620 C VAL A 40 10.266 10.459 -2.758 1.00 0.00 C ATOM 621 O VAL A 40 10.088 11.432 -2.051 1.00 0.00 O ATOM 622 CB VAL A 40 12.471 9.971 -3.831 1.00 0.00 C ATOM 623 CG1 VAL A 40 12.786 11.467 -3.806 1.00 0.00 C ATOM 624 CG2 VAL A 40 13.771 9.176 -3.699 1.00 0.00 C ATOM 0 H VAL A 40 11.619 7.651 -3.474 1.00 0.00 H new ATOM 0 HA VAL A 40 12.060 9.832 -1.730 1.00 0.00 H new ATOM 0 HB VAL A 40 11.983 9.718 -4.772 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.448 11.713 -4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.861 12.035 -3.899 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.274 11.720 -2.865 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.434 9.422 -4.529 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.258 9.429 -2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.548 8.109 -3.717 1.00 0.00 H new ATOM 634 N ASP A 41 9.370 10.068 -3.619 1.00 0.00 N ATOM 635 CA ASP A 41 8.091 10.813 -3.767 1.00 0.00 C ATOM 636 C ASP A 41 7.199 10.529 -2.560 1.00 0.00 C ATOM 637 O ASP A 41 6.746 11.433 -1.887 1.00 0.00 O ATOM 638 CB ASP A 41 7.382 10.355 -5.041 1.00 0.00 C ATOM 639 CG ASP A 41 6.333 11.393 -5.445 1.00 0.00 C ATOM 640 OD1 ASP A 41 5.425 11.623 -4.664 1.00 0.00 O ATOM 641 OD2 ASP A 41 6.455 11.938 -6.529 1.00 0.00 O ATOM 0 H ASP A 41 9.470 9.258 -4.231 1.00 0.00 H new ATOM 0 HA ASP A 41 8.295 11.882 -3.828 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.106 10.223 -5.845 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.907 9.388 -4.877 1.00 0.00 H new ATOM 646 N ALA A 42 6.944 9.280 -2.276 1.00 0.00 N ATOM 647 CA ALA A 42 6.083 8.951 -1.110 1.00 0.00 C ATOM 648 C ALA A 42 6.726 9.492 0.164 1.00 0.00 C ATOM 649 O ALA A 42 6.171 10.336 0.832 1.00 0.00 O ATOM 650 CB ALA A 42 5.939 7.436 -1.006 1.00 0.00 C ATOM 0 H ALA A 42 7.294 8.478 -2.800 1.00 0.00 H new ATOM 0 HA ALA A 42 5.100 9.404 -1.239 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.308 7.188 -0.152 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.483 7.050 -1.918 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.923 6.985 -0.873 1.00 0.00 H new ATOM 656 N LEU A 43 7.891 9.007 0.501 1.00 0.00 N ATOM 657 CA LEU A 43 8.585 9.483 1.734 1.00 0.00 C ATOM 658 C LEU A 43 8.443 11.004 1.860 1.00 0.00 C ATOM 659 O LEU A 43 8.188 11.523 2.927 1.00 0.00 O ATOM 660 CB LEU A 43 10.071 9.115 1.653 1.00 0.00 C ATOM 661 CG LEU A 43 10.769 9.450 2.978 1.00 0.00 C ATOM 662 CD1 LEU A 43 10.206 8.581 4.107 1.00 0.00 C ATOM 663 CD2 LEU A 43 12.270 9.186 2.838 1.00 0.00 C ATOM 0 H LEU A 43 8.396 8.296 -0.029 1.00 0.00 H new ATOM 0 HA LEU A 43 8.134 9.009 2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.179 8.053 1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.545 9.659 0.836 1.00 0.00 H new ATOM 0 HG LEU A 43 10.596 10.499 3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.709 8.828 5.042 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.137 8.767 4.210 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.371 7.529 3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.770 9.423 3.777 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.434 8.136 2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.677 9.811 2.043 1.00 0.00 H new ATOM 675 N ASN A 44 8.607 11.722 0.781 1.00 0.00 N ATOM 676 CA ASN A 44 8.479 13.205 0.855 1.00 0.00 C ATOM 677 C ASN A 44 7.004 13.593 0.986 1.00 0.00 C ATOM 678 O ASN A 44 6.657 14.528 1.682 1.00 0.00 O ATOM 679 CB ASN A 44 9.057 13.832 -0.416 1.00 0.00 C ATOM 680 CG ASN A 44 10.581 13.899 -0.306 1.00 0.00 C ATOM 681 OD1 ASN A 44 11.116 14.108 0.765 1.00 0.00 O ATOM 682 ND2 ASN A 44 11.309 13.729 -1.376 1.00 0.00 N ATOM 0 H ASN A 44 8.823 11.348 -0.143 1.00 0.00 H new ATOM 0 HA ASN A 44 9.026 13.568 1.725 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.770 13.243 -1.287 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.648 14.832 -0.559 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.326 13.772 -1.313 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.861 13.554 -2.275 1.00 0.00 H new ATOM 689 N LYS A 45 6.134 12.887 0.319 1.00 0.00 N ATOM 690 CA LYS A 45 4.681 13.220 0.399 1.00 0.00 C ATOM 691 C LYS A 45 4.026 12.449 1.549 1.00 0.00 C ATOM 692 O LYS A 45 2.842 12.564 1.787 1.00 0.00 O ATOM 693 CB LYS A 45 4.000 12.842 -0.919 1.00 0.00 C ATOM 694 CG LYS A 45 4.477 13.782 -2.030 1.00 0.00 C ATOM 695 CD LYS A 45 3.638 13.552 -3.289 1.00 0.00 C ATOM 696 CE LYS A 45 2.536 14.610 -3.369 1.00 0.00 C ATOM 697 NZ LYS A 45 3.143 15.938 -3.673 1.00 0.00 N ATOM 0 H LYS A 45 6.365 12.093 -0.279 1.00 0.00 H new ATOM 0 HA LYS A 45 4.570 14.289 0.579 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.233 11.809 -1.177 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.917 12.908 -0.813 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.389 14.819 -1.706 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.531 13.603 -2.245 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.271 13.603 -4.175 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.198 12.555 -3.269 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.815 14.342 -4.142 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.991 14.655 -2.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.458 16.521 -4.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.398 16.415 -2.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.997 15.805 -4.252 1.00 0.00 H new ATOM 711 N LEU A 46 4.784 11.666 2.267 1.00 0.00 N ATOM 712 CA LEU A 46 4.195 10.894 3.399 1.00 0.00 C ATOM 713 C LEU A 46 4.009 11.827 4.595 1.00 0.00 C ATOM 714 O LEU A 46 3.016 11.772 5.292 1.00 0.00 O ATOM 715 CB LEU A 46 5.140 9.749 3.787 1.00 0.00 C ATOM 716 CG LEU A 46 4.387 8.411 3.805 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.217 8.484 4.786 1.00 0.00 C ATOM 718 CD2 LEU A 46 3.848 8.097 2.408 1.00 0.00 C ATOM 0 H LEU A 46 5.784 11.527 2.120 1.00 0.00 H new ATOM 0 HA LEU A 46 3.232 10.480 3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.968 9.697 3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.572 9.943 4.769 1.00 0.00 H new ATOM 0 HG LEU A 46 5.077 7.626 4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.688 7.531 4.793 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.594 8.697 5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.534 9.276 4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.315 7.146 2.429 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.167 8.888 2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.678 8.033 1.704 1.00 0.00 H new ATOM 730 N GLN A 47 4.960 12.688 4.837 1.00 0.00 N ATOM 731 CA GLN A 47 4.838 13.628 5.985 1.00 0.00 C ATOM 732 C GLN A 47 3.648 14.560 5.752 1.00 0.00 C ATOM 733 O GLN A 47 3.306 15.366 6.594 1.00 0.00 O ATOM 734 CB GLN A 47 6.120 14.454 6.106 1.00 0.00 C ATOM 735 CG GLN A 47 6.654 14.772 4.709 1.00 0.00 C ATOM 736 CD GLN A 47 7.655 15.927 4.796 1.00 0.00 C ATOM 737 OE1 GLN A 47 8.113 16.269 5.867 1.00 0.00 O ATOM 738 NE2 GLN A 47 8.014 16.545 3.704 1.00 0.00 N ATOM 0 H GLN A 47 5.815 12.780 4.289 1.00 0.00 H new ATOM 0 HA GLN A 47 4.683 13.064 6.905 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.921 15.377 6.650 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.868 13.903 6.676 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.135 13.891 4.283 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.831 15.039 4.046 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.629 16.257 2.805 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.680 17.316 3.750 1.00 0.00 H new ATOM 747 N ALA A 48 3.019 14.456 4.612 1.00 0.00 N ATOM 748 CA ALA A 48 1.852 15.332 4.317 1.00 0.00 C ATOM 749 C ALA A 48 0.923 15.372 5.530 1.00 0.00 C ATOM 750 O ALA A 48 0.846 16.362 6.230 1.00 0.00 O ATOM 751 CB ALA A 48 1.091 14.778 3.111 1.00 0.00 C ATOM 0 H ALA A 48 3.265 13.800 3.871 1.00 0.00 H new ATOM 0 HA ALA A 48 2.202 16.340 4.095 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.236 15.419 2.894 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.752 14.750 2.245 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.741 13.770 3.333 1.00 0.00 H new ATOM 757 N GLY A 49 0.221 14.299 5.786 1.00 0.00 N ATOM 758 CA GLY A 49 -0.703 14.270 6.957 1.00 0.00 C ATOM 759 C GLY A 49 -0.644 12.892 7.616 1.00 0.00 C ATOM 760 O GLY A 49 -1.390 12.599 8.529 1.00 0.00 O ATOM 0 H GLY A 49 0.248 13.442 5.234 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.423 15.041 7.675 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.722 14.489 6.636 1.00 0.00 H new ATOM 764 N GLY A 50 0.230 12.040 7.155 1.00 0.00 N ATOM 765 CA GLY A 50 0.325 10.680 7.753 1.00 0.00 C ATOM 766 C GLY A 50 -0.749 9.796 7.130 1.00 0.00 C ATOM 767 O GLY A 50 -1.789 9.558 7.711 1.00 0.00 O ATOM 0 H GLY A 50 0.881 12.227 6.392 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.313 10.257 7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.191 10.732 8.834 1.00 0.00 H new ATOM 771 N TYR A 51 -0.512 9.323 5.943 1.00 0.00 N ATOM 772 CA TYR A 51 -1.520 8.471 5.268 1.00 0.00 C ATOM 773 C TYR A 51 -1.839 7.258 6.128 1.00 0.00 C ATOM 774 O TYR A 51 -1.003 6.405 6.356 1.00 0.00 O ATOM 775 CB TYR A 51 -0.977 8.017 3.918 1.00 0.00 C ATOM 776 CG TYR A 51 -1.095 9.159 2.950 1.00 0.00 C ATOM 777 CD1 TYR A 51 -0.086 10.123 2.891 1.00 0.00 C ATOM 778 CD2 TYR A 51 -2.220 9.265 2.127 1.00 0.00 C ATOM 779 CE1 TYR A 51 -0.199 11.197 2.005 1.00 0.00 C ATOM 780 CE2 TYR A 51 -2.336 10.343 1.242 1.00 0.00 C ATOM 781 CZ TYR A 51 -1.323 11.308 1.182 1.00 0.00 C ATOM 782 OH TYR A 51 -1.436 12.373 0.318 1.00 0.00 O ATOM 0 H TYR A 51 0.341 9.491 5.409 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.433 9.047 5.119 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.064 7.707 4.013 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.535 7.154 3.556 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.781 10.038 3.530 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.998 8.517 2.174 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.582 11.941 1.956 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.205 10.430 0.607 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.263 13.207 0.803 1.00 0.00 H new ATOM 792 N GLY A 52 -3.046 7.170 6.598 1.00 0.00 N ATOM 793 CA GLY A 52 -3.426 6.008 7.432 1.00 0.00 C ATOM 794 C GLY A 52 -3.151 4.728 6.644 1.00 0.00 C ATOM 795 O GLY A 52 -3.277 3.634 7.157 1.00 0.00 O ATOM 0 H GLY A 52 -3.786 7.854 6.440 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.858 6.009 8.362 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.480 6.066 7.703 1.00 0.00 H new ATOM 799 N PHE A 53 -2.802 4.853 5.387 1.00 0.00 N ATOM 800 CA PHE A 53 -2.554 3.635 4.565 1.00 0.00 C ATOM 801 C PHE A 53 -1.722 3.978 3.324 1.00 0.00 C ATOM 802 O PHE A 53 -1.967 4.965 2.652 1.00 0.00 O ATOM 803 CB PHE A 53 -3.902 3.113 4.113 1.00 0.00 C ATOM 804 CG PHE A 53 -4.003 1.624 4.292 1.00 0.00 C ATOM 805 CD1 PHE A 53 -4.315 1.079 5.542 1.00 0.00 C ATOM 806 CD2 PHE A 53 -3.854 0.793 3.187 1.00 0.00 C ATOM 807 CE1 PHE A 53 -4.467 -0.302 5.678 1.00 0.00 C ATOM 808 CE2 PHE A 53 -4.018 -0.578 3.316 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.322 -1.135 4.562 1.00 0.00 C ATOM 0 H PHE A 53 -2.680 5.741 4.900 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.010 2.897 5.154 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.693 3.603 4.681 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.059 3.366 3.064 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.438 1.725 6.399 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.610 1.217 2.224 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.696 -0.728 6.644 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.911 -1.217 2.452 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.444 -2.203 4.663 1.00 0.00 H new ATOM 819 N VAL A 54 -0.756 3.153 3.003 1.00 0.00 N ATOM 820 CA VAL A 54 0.087 3.409 1.797 1.00 0.00 C ATOM 821 C VAL A 54 0.157 2.146 0.934 1.00 0.00 C ATOM 822 O VAL A 54 0.579 1.098 1.380 1.00 0.00 O ATOM 823 CB VAL A 54 1.498 3.809 2.232 1.00 0.00 C ATOM 824 CG1 VAL A 54 2.425 3.818 1.015 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.462 5.207 2.849 1.00 0.00 C ATOM 0 H VAL A 54 -0.515 2.311 3.527 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.357 4.217 1.216 1.00 0.00 H new ATOM 0 HB VAL A 54 1.867 3.093 2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.430 4.103 1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.451 2.823 0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.055 4.534 0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.467 5.494 3.160 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.093 5.920 2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.801 5.205 3.716 1.00 0.00 H new ATOM 835 N ILE A 55 -0.251 2.252 -0.304 1.00 0.00 N ATOM 836 CA ILE A 55 -0.211 1.075 -1.221 1.00 0.00 C ATOM 837 C ILE A 55 0.949 1.255 -2.204 1.00 0.00 C ATOM 838 O ILE A 55 1.331 2.362 -2.528 1.00 0.00 O ATOM 839 CB ILE A 55 -1.528 0.989 -1.997 1.00 0.00 C ATOM 840 CG1 ILE A 55 -2.698 0.954 -1.010 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.537 -0.284 -2.847 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.019 0.962 -1.781 1.00 0.00 C ATOM 0 H ILE A 55 -0.613 3.110 -0.721 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.072 0.160 -0.646 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.626 1.859 -2.647 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.634 0.062 -0.386 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.650 1.814 -0.342 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.474 -0.346 -3.400 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.703 -0.259 -3.548 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.440 -1.155 -2.199 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.851 0.937 -1.077 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.082 1.867 -2.386 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.067 0.088 -2.430 1.00 0.00 H new ATOM 854 N SER A 56 1.513 0.181 -2.683 1.00 0.00 N ATOM 855 CA SER A 56 2.648 0.303 -3.643 1.00 0.00 C ATOM 856 C SER A 56 2.925 -1.059 -4.284 1.00 0.00 C ATOM 857 O SER A 56 2.505 -2.085 -3.787 1.00 0.00 O ATOM 858 CB SER A 56 3.896 0.775 -2.897 1.00 0.00 C ATOM 859 OG SER A 56 4.718 -0.347 -2.598 1.00 0.00 O ATOM 0 H SER A 56 1.239 -0.774 -2.453 1.00 0.00 H new ATOM 0 HA SER A 56 2.391 1.024 -4.419 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.447 1.492 -3.505 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.612 1.288 -1.978 1.00 0.00 H new ATOM 0 HG SER A 56 5.520 -0.047 -2.121 1.00 0.00 H new ATOM 865 N ASP A 57 3.631 -1.078 -5.380 1.00 0.00 N ATOM 866 CA ASP A 57 3.939 -2.377 -6.047 1.00 0.00 C ATOM 867 C ASP A 57 5.297 -2.884 -5.548 1.00 0.00 C ATOM 868 O ASP A 57 5.839 -2.371 -4.589 1.00 0.00 O ATOM 869 CB ASP A 57 3.986 -2.170 -7.564 1.00 0.00 C ATOM 870 CG ASP A 57 4.501 -0.763 -7.874 1.00 0.00 C ATOM 871 OD1 ASP A 57 5.334 -0.280 -7.125 1.00 0.00 O ATOM 872 OD2 ASP A 57 4.052 -0.193 -8.854 1.00 0.00 O ATOM 0 H ASP A 57 4.009 -0.252 -5.844 1.00 0.00 H new ATOM 0 HA ASP A 57 3.168 -3.110 -5.810 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.636 -2.915 -8.023 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.992 -2.307 -7.991 1.00 0.00 H new ATOM 877 N TRP A 58 5.848 -3.886 -6.190 1.00 0.00 N ATOM 878 CA TRP A 58 7.173 -4.430 -5.757 1.00 0.00 C ATOM 879 C TRP A 58 8.117 -4.495 -6.958 1.00 0.00 C ATOM 880 O TRP A 58 7.926 -5.276 -7.869 1.00 0.00 O ATOM 881 CB TRP A 58 6.989 -5.839 -5.186 1.00 0.00 C ATOM 882 CG TRP A 58 8.303 -6.352 -4.687 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.330 -6.759 -5.471 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.750 -6.521 -3.311 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.378 -7.164 -4.662 1.00 0.00 N ATOM 886 CE2 TRP A 58 10.068 -7.037 -3.322 1.00 0.00 C ATOM 887 CE3 TRP A 58 8.144 -6.280 -2.068 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.760 -7.303 -2.137 1.00 0.00 C ATOM 889 CZ3 TRP A 58 8.835 -6.546 -0.875 1.00 0.00 C ATOM 890 CH2 TRP A 58 10.142 -7.056 -0.909 1.00 0.00 C ATOM 0 H TRP A 58 5.435 -4.352 -6.998 1.00 0.00 H new ATOM 0 HA TRP A 58 7.596 -3.778 -4.993 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.262 -5.822 -4.374 1.00 0.00 H new ATOM 0 HB3 TRP A 58 6.594 -6.505 -5.953 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.331 -6.766 -6.551 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.270 -7.513 -5.013 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.139 -5.887 -2.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.765 -7.697 -2.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.358 -6.357 0.075 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.669 -7.257 0.012 1.00 0.00 H new ATOM 901 N ASN A 59 9.138 -3.683 -6.965 1.00 0.00 N ATOM 902 CA ASN A 59 10.098 -3.701 -8.104 1.00 0.00 C ATOM 903 C ASN A 59 9.337 -3.552 -9.423 1.00 0.00 C ATOM 904 O ASN A 59 8.774 -4.497 -9.937 1.00 0.00 O ATOM 905 CB ASN A 59 10.860 -5.029 -8.103 1.00 0.00 C ATOM 906 CG ASN A 59 12.127 -4.893 -8.949 1.00 0.00 C ATOM 907 OD1 ASN A 59 12.019 -4.647 -10.227 1.00 0.00 O flip ATOM 908 ND2 ASN A 59 13.225 -5.011 -8.444 1.00 0.00 N flip ATOM 0 H ASN A 59 9.349 -3.007 -6.231 1.00 0.00 H new ATOM 0 HA ASN A 59 10.801 -2.874 -7.998 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.120 -5.310 -7.082 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.228 -5.823 -8.501 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.309 -5.203 -7.446 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.063 -4.918 -9.018 1.00 0.00 H new ATOM 915 N MET A 60 9.325 -2.370 -9.979 1.00 0.00 N ATOM 916 CA MET A 60 8.612 -2.150 -11.270 1.00 0.00 C ATOM 917 C MET A 60 8.690 -0.668 -11.680 1.00 0.00 C ATOM 918 O MET A 60 9.053 -0.380 -12.804 1.00 0.00 O ATOM 919 CB MET A 60 7.143 -2.584 -11.163 1.00 0.00 C ATOM 920 CG MET A 60 6.875 -3.723 -12.151 1.00 0.00 C ATOM 921 SD MET A 60 5.121 -4.166 -12.098 1.00 0.00 S ATOM 922 CE MET A 60 4.949 -4.625 -13.840 1.00 0.00 C ATOM 0 H MET A 60 9.781 -1.544 -9.592 1.00 0.00 H new ATOM 0 HA MET A 60 9.100 -2.757 -12.033 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.922 -2.910 -10.147 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.487 -1.740 -11.377 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.154 -3.417 -13.159 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.488 -4.589 -11.900 1.00 0.00 H new ATOM 0 HE1 MET A 60 3.923 -4.938 -14.034 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.192 -3.768 -14.468 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.628 -5.446 -14.069 1.00 0.00 H new ATOM 932 N PRO A 61 8.354 0.245 -10.784 1.00 0.00 N ATOM 933 CA PRO A 61 8.404 1.684 -11.114 1.00 0.00 C ATOM 934 C PRO A 61 9.851 2.108 -11.377 1.00 0.00 C ATOM 935 O PRO A 61 10.171 2.655 -12.413 1.00 0.00 O ATOM 936 CB PRO A 61 7.852 2.399 -9.875 1.00 0.00 C ATOM 937 CG PRO A 61 7.491 1.316 -8.828 1.00 0.00 C ATOM 938 CD PRO A 61 7.903 -0.048 -9.402 1.00 0.00 C ATOM 0 HA PRO A 61 7.830 1.924 -12.009 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.592 3.090 -9.471 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.973 2.989 -10.134 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.008 1.507 -7.888 1.00 0.00 H new ATOM 0 HG3 PRO A 61 6.422 1.333 -8.614 1.00 0.00 H new ATOM 0 HD2 PRO A 61 8.701 -0.501 -8.813 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.067 -0.748 -9.398 1.00 0.00 H new ATOM 946 N ASN A 62 10.729 1.858 -10.443 1.00 0.00 N ATOM 947 CA ASN A 62 12.155 2.244 -10.636 1.00 0.00 C ATOM 948 C ASN A 62 13.025 1.485 -9.631 1.00 0.00 C ATOM 949 O ASN A 62 14.092 1.007 -9.960 1.00 0.00 O ATOM 950 CB ASN A 62 12.313 3.750 -10.412 1.00 0.00 C ATOM 951 CG ASN A 62 11.055 4.300 -9.735 1.00 0.00 C ATOM 952 OD1 ASN A 62 10.964 4.322 -8.525 1.00 0.00 O ATOM 953 ND2 ASN A 62 10.076 4.751 -10.472 1.00 0.00 N ATOM 0 H ASN A 62 10.519 1.403 -9.555 1.00 0.00 H new ATOM 0 HA ASN A 62 12.466 1.995 -11.651 1.00 0.00 H new ATOM 0 HB2 ASN A 62 13.188 3.946 -9.792 1.00 0.00 H new ATOM 0 HB3 ASN A 62 12.477 4.255 -11.364 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.235 5.122 -10.031 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.153 4.732 -11.489 1.00 0.00 H new ATOM 960 N MET A 63 12.571 1.374 -8.408 1.00 0.00 N ATOM 961 CA MET A 63 13.360 0.649 -7.368 1.00 0.00 C ATOM 962 C MET A 63 12.440 -0.324 -6.625 1.00 0.00 C ATOM 963 O MET A 63 11.263 -0.422 -6.913 1.00 0.00 O ATOM 964 CB MET A 63 13.944 1.656 -6.374 1.00 0.00 C ATOM 965 CG MET A 63 14.941 2.567 -7.092 1.00 0.00 C ATOM 966 SD MET A 63 16.570 2.406 -6.321 1.00 0.00 S ATOM 967 CE MET A 63 16.197 3.322 -4.806 1.00 0.00 C ATOM 0 H MET A 63 11.683 1.757 -8.084 1.00 0.00 H new ATOM 0 HA MET A 63 14.171 0.098 -7.843 1.00 0.00 H new ATOM 0 HB2 MET A 63 13.145 2.251 -5.932 1.00 0.00 H new ATOM 0 HB3 MET A 63 14.439 1.131 -5.557 1.00 0.00 H new ATOM 0 HG2 MET A 63 14.999 2.300 -8.147 1.00 0.00 H new ATOM 0 HG3 MET A 63 14.604 3.603 -7.043 1.00 0.00 H new ATOM 0 HE1 MET A 63 17.104 3.425 -4.210 1.00 0.00 H new ATOM 0 HE2 MET A 63 15.818 4.311 -5.063 1.00 0.00 H new ATOM 0 HE3 MET A 63 15.444 2.783 -4.231 1.00 0.00 H new ATOM 977 N ASP A 64 12.966 -1.044 -5.672 1.00 0.00 N ATOM 978 CA ASP A 64 12.119 -2.009 -4.914 1.00 0.00 C ATOM 979 C ASP A 64 11.285 -1.255 -3.876 1.00 0.00 C ATOM 980 O ASP A 64 11.677 -0.212 -3.390 1.00 0.00 O ATOM 981 CB ASP A 64 13.018 -3.025 -4.204 1.00 0.00 C ATOM 982 CG ASP A 64 14.312 -2.341 -3.761 1.00 0.00 C ATOM 983 OD1 ASP A 64 14.224 -1.272 -3.179 1.00 0.00 O ATOM 984 OD2 ASP A 64 15.368 -2.898 -4.010 1.00 0.00 O ATOM 0 H ASP A 64 13.944 -1.006 -5.386 1.00 0.00 H new ATOM 0 HA ASP A 64 11.454 -2.528 -5.604 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.501 -3.442 -3.340 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.244 -3.856 -4.872 1.00 0.00 H new ATOM 989 N GLY A 65 10.137 -1.772 -3.531 1.00 0.00 N ATOM 990 CA GLY A 65 9.281 -1.082 -2.524 1.00 0.00 C ATOM 991 C GLY A 65 9.811 -1.377 -1.119 1.00 0.00 C ATOM 992 O GLY A 65 9.536 -0.661 -0.172 1.00 0.00 O ATOM 0 H GLY A 65 9.755 -2.642 -3.903 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.280 -0.007 -2.706 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.249 -1.421 -2.614 1.00 0.00 H new ATOM 996 N LEU A 66 10.578 -2.421 -0.975 1.00 0.00 N ATOM 997 CA LEU A 66 11.133 -2.750 0.364 1.00 0.00 C ATOM 998 C LEU A 66 11.733 -1.477 0.962 1.00 0.00 C ATOM 999 O LEU A 66 11.767 -1.295 2.163 1.00 0.00 O ATOM 1000 CB LEU A 66 12.218 -3.824 0.209 1.00 0.00 C ATOM 1001 CG LEU A 66 12.835 -4.160 1.573 1.00 0.00 C ATOM 1002 CD1 LEU A 66 11.754 -4.684 2.518 1.00 0.00 C ATOM 1003 CD2 LEU A 66 13.907 -5.237 1.394 1.00 0.00 C ATOM 0 H LEU A 66 10.843 -3.059 -1.726 1.00 0.00 H new ATOM 0 HA LEU A 66 10.352 -3.131 1.021 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.789 -4.722 -0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.993 -3.472 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 66 13.280 -3.259 1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.199 -4.921 3.484 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.985 -3.923 2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.306 -5.583 2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.347 -5.477 2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.455 -6.133 0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.684 -4.869 0.724 1.00 0.00 H new ATOM 1015 N GLU A 67 12.195 -0.590 0.123 1.00 0.00 N ATOM 1016 CA GLU A 67 12.784 0.682 0.624 1.00 0.00 C ATOM 1017 C GLU A 67 11.662 1.686 0.901 1.00 0.00 C ATOM 1018 O GLU A 67 11.773 2.529 1.768 1.00 0.00 O ATOM 1019 CB GLU A 67 13.732 1.257 -0.432 1.00 0.00 C ATOM 1020 CG GLU A 67 15.069 1.609 0.218 1.00 0.00 C ATOM 1021 CD GLU A 67 15.798 0.325 0.616 1.00 0.00 C ATOM 1022 OE1 GLU A 67 15.867 -0.573 -0.208 1.00 0.00 O ATOM 1023 OE2 GLU A 67 16.277 0.261 1.736 1.00 0.00 O ATOM 0 H GLU A 67 12.189 -0.693 -0.892 1.00 0.00 H new ATOM 0 HA GLU A 67 13.338 0.490 1.543 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.884 0.532 -1.232 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.292 2.145 -0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.681 2.187 -0.475 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.905 2.234 1.096 1.00 0.00 H new ATOM 1030 N LEU A 68 10.578 1.599 0.176 1.00 0.00 N ATOM 1031 CA LEU A 68 9.453 2.549 0.410 1.00 0.00 C ATOM 1032 C LEU A 68 9.007 2.431 1.866 1.00 0.00 C ATOM 1033 O LEU A 68 8.636 3.406 2.486 1.00 0.00 O ATOM 1034 CB LEU A 68 8.275 2.207 -0.522 1.00 0.00 C ATOM 1035 CG LEU A 68 8.152 3.227 -1.668 1.00 0.00 C ATOM 1036 CD1 LEU A 68 7.699 2.520 -2.945 1.00 0.00 C ATOM 1037 CD2 LEU A 68 7.110 4.283 -1.299 1.00 0.00 C ATOM 0 H LEU A 68 10.424 0.914 -0.564 1.00 0.00 H new ATOM 0 HA LEU A 68 9.782 3.567 0.202 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.414 1.208 -0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.348 2.188 0.052 1.00 0.00 H new ATOM 0 HG LEU A 68 9.122 3.696 -1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.614 3.247 -3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.429 1.758 -3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.730 2.050 -2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.022 5.006 -2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.146 3.801 -1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.418 4.796 -0.388 1.00 0.00 H new ATOM 1049 N LEU A 69 9.054 1.252 2.429 1.00 0.00 N ATOM 1050 CA LEU A 69 8.644 1.112 3.855 1.00 0.00 C ATOM 1051 C LEU A 69 9.851 1.399 4.740 1.00 0.00 C ATOM 1052 O LEU A 69 9.848 2.315 5.539 1.00 0.00 O ATOM 1053 CB LEU A 69 8.149 -0.303 4.214 1.00 0.00 C ATOM 1054 CG LEU A 69 7.813 -1.188 2.999 1.00 0.00 C ATOM 1055 CD1 LEU A 69 8.213 -2.634 3.297 1.00 0.00 C ATOM 1056 CD2 LEU A 69 6.310 -1.153 2.768 1.00 0.00 C ATOM 0 H LEU A 69 9.354 0.392 1.970 1.00 0.00 H new ATOM 0 HA LEU A 69 7.823 1.812 4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.913 -0.801 4.811 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.262 -0.216 4.841 1.00 0.00 H new ATOM 0 HG LEU A 69 8.348 -0.822 2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.976 -3.262 2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.284 -2.682 3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.665 -2.991 4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.059 -1.776 1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.797 -1.530 3.653 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.995 -0.127 2.576 1.00 0.00 H new ATOM 1068 N LYS A 70 10.876 0.603 4.610 1.00 0.00 N ATOM 1069 CA LYS A 70 12.096 0.794 5.443 1.00 0.00 C ATOM 1070 C LYS A 70 12.448 2.280 5.518 1.00 0.00 C ATOM 1071 O LYS A 70 13.053 2.738 6.467 1.00 0.00 O ATOM 1072 CB LYS A 70 13.253 0.021 4.811 1.00 0.00 C ATOM 1073 CG LYS A 70 13.431 -1.330 5.516 1.00 0.00 C ATOM 1074 CD LYS A 70 13.937 -1.129 6.951 1.00 0.00 C ATOM 1075 CE LYS A 70 14.954 -2.221 7.288 1.00 0.00 C ATOM 1076 NZ LYS A 70 16.128 -2.105 6.378 1.00 0.00 N ATOM 0 H LYS A 70 10.921 -0.179 3.956 1.00 0.00 H new ATOM 0 HA LYS A 70 11.912 0.425 6.452 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.059 -0.136 3.750 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.172 0.602 4.884 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.482 -1.866 5.531 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.136 -1.947 4.959 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.396 -0.145 7.052 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.102 -1.165 7.651 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.274 -2.127 8.326 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.496 -3.204 7.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.996 -2.346 6.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.012 -2.758 5.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.197 -1.130 6.023 1.00 0.00 H new ATOM 1090 N THR A 71 12.067 3.041 4.529 1.00 0.00 N ATOM 1091 CA THR A 71 12.375 4.498 4.554 1.00 0.00 C ATOM 1092 C THR A 71 11.476 5.181 5.587 1.00 0.00 C ATOM 1093 O THR A 71 11.899 6.062 6.309 1.00 0.00 O ATOM 1094 CB THR A 71 12.116 5.101 3.170 1.00 0.00 C ATOM 1095 OG1 THR A 71 10.914 4.562 2.639 1.00 0.00 O ATOM 1096 CG2 THR A 71 13.283 4.768 2.240 1.00 0.00 C ATOM 0 H THR A 71 11.557 2.718 3.707 1.00 0.00 H new ATOM 0 HA THR A 71 13.421 4.648 4.820 1.00 0.00 H new ATOM 0 HB THR A 71 12.022 6.184 3.256 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.127 3.939 1.914 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.098 5.198 1.255 1.00 0.00 H new ATOM 0 HG22 THR A 71 14.204 5.183 2.649 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.380 3.686 2.151 1.00 0.00 H new ATOM 1104 N ILE A 72 10.238 4.775 5.663 1.00 0.00 N ATOM 1105 CA ILE A 72 9.305 5.391 6.649 1.00 0.00 C ATOM 1106 C ILE A 72 9.802 5.102 8.068 1.00 0.00 C ATOM 1107 O ILE A 72 9.834 5.973 8.915 1.00 0.00 O ATOM 1108 CB ILE A 72 7.908 4.791 6.466 1.00 0.00 C ATOM 1109 CG1 ILE A 72 7.422 5.058 5.039 1.00 0.00 C ATOM 1110 CG2 ILE A 72 6.939 5.430 7.461 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.154 4.244 4.761 1.00 0.00 C ATOM 0 H ILE A 72 9.831 4.041 5.083 1.00 0.00 H new ATOM 0 HA ILE A 72 9.264 6.469 6.491 1.00 0.00 H new ATOM 0 HB ILE A 72 7.951 3.716 6.643 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.219 6.121 4.907 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.200 4.791 4.324 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.946 5.001 7.328 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.283 5.240 8.478 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.896 6.505 7.288 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.813 4.438 3.744 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.371 3.182 4.874 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.375 4.532 5.466 1.00 0.00 H new ATOM 1123 N ARG A 73 10.188 3.883 8.332 1.00 0.00 N ATOM 1124 CA ARG A 73 10.680 3.533 9.695 1.00 0.00 C ATOM 1125 C ARG A 73 11.921 4.367 10.024 1.00 0.00 C ATOM 1126 O ARG A 73 12.194 4.664 11.170 1.00 0.00 O ATOM 1127 CB ARG A 73 11.039 2.046 9.739 1.00 0.00 C ATOM 1128 CG ARG A 73 9.759 1.212 9.814 1.00 0.00 C ATOM 1129 CD ARG A 73 10.073 -0.241 9.450 1.00 0.00 C ATOM 1130 NE ARG A 73 11.524 -0.503 9.663 1.00 0.00 N ATOM 1131 CZ ARG A 73 11.923 -1.135 10.731 1.00 0.00 C ATOM 1132 NH1 ARG A 73 11.606 -2.389 10.905 1.00 0.00 N ATOM 1133 NH2 ARG A 73 12.640 -0.514 11.628 1.00 0.00 N ATOM 0 H ARG A 73 10.184 3.114 7.662 1.00 0.00 H new ATOM 0 HA ARG A 73 9.900 3.743 10.427 1.00 0.00 H new ATOM 0 HB2 ARG A 73 11.612 1.773 8.852 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.671 1.839 10.603 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.337 1.263 10.818 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.010 1.615 9.133 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.477 -0.918 10.062 1.00 0.00 H new ATOM 0 HD3 ARG A 73 9.806 -0.433 8.411 1.00 0.00 H new ATOM 0 HE ARG A 73 12.206 -0.188 8.973 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.046 -2.875 10.205 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.919 -2.883 11.741 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.888 0.466 11.493 1.00 0.00 H new ATOM 0 HH22 ARG A 73 12.952 -1.009 12.464 1.00 0.00 H new ATOM 1147 N ALA A 74 12.677 4.742 9.028 1.00 0.00 N ATOM 1148 CA ALA A 74 13.901 5.553 9.286 1.00 0.00 C ATOM 1149 C ALA A 74 13.565 6.697 10.244 1.00 0.00 C ATOM 1150 O ALA A 74 14.405 7.165 10.986 1.00 0.00 O ATOM 1151 CB ALA A 74 14.418 6.129 7.967 1.00 0.00 C ATOM 0 H ALA A 74 12.500 4.522 8.048 1.00 0.00 H new ATOM 0 HA ALA A 74 14.668 4.920 9.732 1.00 0.00 H new ATOM 0 HB1 ALA A 74 15.313 6.722 8.155 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.659 5.314 7.284 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.651 6.762 7.521 1.00 0.00 H new ATOM 1157 N ASP A 75 12.341 7.152 10.234 1.00 0.00 N ATOM 1158 CA ASP A 75 11.953 8.265 11.144 1.00 0.00 C ATOM 1159 C ASP A 75 11.458 7.690 12.473 1.00 0.00 C ATOM 1160 O ASP A 75 11.840 6.608 12.873 1.00 0.00 O ATOM 1161 CB ASP A 75 10.838 9.088 10.496 1.00 0.00 C ATOM 1162 CG ASP A 75 11.051 10.571 10.806 1.00 0.00 C ATOM 1163 OD1 ASP A 75 12.060 11.105 10.378 1.00 0.00 O ATOM 1164 OD2 ASP A 75 10.201 11.146 11.465 1.00 0.00 O ATOM 0 H ASP A 75 11.594 6.800 9.635 1.00 0.00 H new ATOM 0 HA ASP A 75 12.817 8.904 11.325 1.00 0.00 H new ATOM 0 HB2 ASP A 75 10.833 8.928 9.418 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.867 8.763 10.871 1.00 0.00 H new ATOM 1169 N GLY A 76 10.611 8.406 13.162 1.00 0.00 N ATOM 1170 CA GLY A 76 10.093 7.900 14.464 1.00 0.00 C ATOM 1171 C GLY A 76 8.683 8.443 14.702 1.00 0.00 C ATOM 1172 O GLY A 76 7.972 7.990 15.577 1.00 0.00 O ATOM 0 H GLY A 76 10.256 9.319 12.879 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.078 6.810 14.462 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.754 8.208 15.274 1.00 0.00 H new ATOM 1176 N ALA A 77 8.271 9.411 13.930 1.00 0.00 N ATOM 1177 CA ALA A 77 6.906 9.982 14.113 1.00 0.00 C ATOM 1178 C ALA A 77 5.913 9.213 13.240 1.00 0.00 C ATOM 1179 O ALA A 77 4.742 9.119 13.550 1.00 0.00 O ATOM 1180 CB ALA A 77 6.911 11.457 13.706 1.00 0.00 C ATOM 0 H ALA A 77 8.820 9.831 13.180 1.00 0.00 H new ATOM 0 HA ALA A 77 6.612 9.897 15.159 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.913 11.875 13.840 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.620 12.004 14.328 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.204 11.545 12.660 1.00 0.00 H new ATOM 1186 N MET A 78 6.371 8.661 12.150 1.00 0.00 N ATOM 1187 CA MET A 78 5.454 7.897 11.258 1.00 0.00 C ATOM 1188 C MET A 78 5.484 6.417 11.650 1.00 0.00 C ATOM 1189 O MET A 78 4.669 5.631 11.208 1.00 0.00 O ATOM 1190 CB MET A 78 5.913 8.051 9.806 1.00 0.00 C ATOM 1191 CG MET A 78 5.860 9.528 9.402 1.00 0.00 C ATOM 1192 SD MET A 78 5.292 9.665 7.689 1.00 0.00 S ATOM 1193 CE MET A 78 6.814 9.093 6.893 1.00 0.00 C ATOM 0 H MET A 78 7.341 8.706 11.839 1.00 0.00 H new ATOM 0 HA MET A 78 4.439 8.280 11.360 1.00 0.00 H new ATOM 0 HB2 MET A 78 6.928 7.669 9.693 1.00 0.00 H new ATOM 0 HB3 MET A 78 5.275 7.461 9.148 1.00 0.00 H new ATOM 0 HG2 MET A 78 5.187 10.073 10.064 1.00 0.00 H new ATOM 0 HG3 MET A 78 6.846 9.980 9.507 1.00 0.00 H new ATOM 0 HE1 MET A 78 7.312 9.935 6.413 1.00 0.00 H new ATOM 0 HE2 MET A 78 7.476 8.659 7.643 1.00 0.00 H new ATOM 0 HE3 MET A 78 6.572 8.340 6.143 1.00 0.00 H new ATOM 1203 N SER A 79 6.414 6.036 12.481 1.00 0.00 N ATOM 1204 CA SER A 79 6.499 4.611 12.913 1.00 0.00 C ATOM 1205 C SER A 79 6.523 3.693 11.688 1.00 0.00 C ATOM 1206 O SER A 79 7.478 3.664 10.938 1.00 0.00 O ATOM 1207 CB SER A 79 5.286 4.270 13.780 1.00 0.00 C ATOM 1208 OG SER A 79 5.375 2.916 14.201 1.00 0.00 O ATOM 0 H SER A 79 7.122 6.652 12.881 1.00 0.00 H new ATOM 0 HA SER A 79 7.414 4.465 13.487 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.247 4.930 14.646 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.366 4.428 13.217 1.00 0.00 H new ATOM 0 HG SER A 79 4.600 2.695 14.758 1.00 0.00 H new ATOM 1214 N ALA A 80 5.476 2.940 11.485 1.00 0.00 N ATOM 1215 CA ALA A 80 5.427 2.018 10.317 1.00 0.00 C ATOM 1216 C ALA A 80 3.972 1.853 9.884 1.00 0.00 C ATOM 1217 O ALA A 80 3.439 0.762 9.875 1.00 0.00 O ATOM 1218 CB ALA A 80 6.002 0.657 10.713 1.00 0.00 C ATOM 0 H ALA A 80 4.649 2.925 12.082 1.00 0.00 H new ATOM 0 HA ALA A 80 6.015 2.427 9.496 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.965 -0.017 9.857 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.036 0.779 11.035 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.415 0.238 11.530 1.00 0.00 H new ATOM 1224 N LEU A 81 3.331 2.941 9.545 1.00 0.00 N ATOM 1225 CA LEU A 81 1.901 2.895 9.121 1.00 0.00 C ATOM 1226 C LEU A 81 1.640 1.632 8.272 1.00 0.00 C ATOM 1227 O LEU A 81 2.555 1.128 7.650 1.00 0.00 O ATOM 1228 CB LEU A 81 1.608 4.141 8.281 1.00 0.00 C ATOM 1229 CG LEU A 81 1.229 5.322 9.192 1.00 0.00 C ATOM 1230 CD1 LEU A 81 1.473 6.633 8.443 1.00 0.00 C ATOM 1231 CD2 LEU A 81 -0.252 5.246 9.581 1.00 0.00 C ATOM 0 H LEU A 81 3.745 3.873 9.544 1.00 0.00 H new ATOM 0 HA LEU A 81 1.256 2.866 9.999 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.483 4.399 7.684 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.796 3.935 7.584 1.00 0.00 H new ATOM 0 HG LEU A 81 1.839 5.278 10.094 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.206 7.473 9.084 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.526 6.705 8.169 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.861 6.656 7.541 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.503 6.089 10.225 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.867 5.281 8.682 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.441 4.314 10.113 1.00 0.00 H new ATOM 1243 N PRO A 82 0.409 1.145 8.257 1.00 0.00 N ATOM 1244 CA PRO A 82 0.063 -0.057 7.473 1.00 0.00 C ATOM 1245 C PRO A 82 0.376 0.133 5.991 1.00 0.00 C ATOM 1246 O PRO A 82 0.124 1.175 5.417 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.450 -0.230 7.648 1.00 0.00 C ATOM 1248 CG PRO A 82 -1.952 0.909 8.566 1.00 0.00 C ATOM 1249 CD PRO A 82 -0.729 1.730 9.000 1.00 0.00 C ATOM 0 HA PRO A 82 0.635 -0.920 7.813 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.953 -0.192 6.682 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.675 -1.202 8.087 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.668 1.539 8.038 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.467 0.501 9.436 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.857 2.785 8.759 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.572 1.665 10.077 1.00 0.00 H new ATOM 1257 N VAL A 83 0.882 -0.893 5.364 1.00 0.00 N ATOM 1258 CA VAL A 83 1.170 -0.823 3.907 1.00 0.00 C ATOM 1259 C VAL A 83 0.630 -2.075 3.262 1.00 0.00 C ATOM 1260 O VAL A 83 0.909 -3.173 3.704 1.00 0.00 O ATOM 1261 CB VAL A 83 2.671 -0.773 3.631 1.00 0.00 C ATOM 1262 CG1 VAL A 83 2.944 -1.317 2.216 1.00 0.00 C ATOM 1263 CG2 VAL A 83 3.149 0.671 3.708 1.00 0.00 C ATOM 0 H VAL A 83 1.110 -1.784 5.805 1.00 0.00 H new ATOM 0 HA VAL A 83 0.708 0.081 3.509 1.00 0.00 H new ATOM 0 HB VAL A 83 3.199 -1.377 4.369 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.015 -1.284 2.014 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.594 -2.347 2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.417 -0.706 1.483 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.220 0.711 3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.621 1.269 2.965 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.948 1.068 4.703 1.00 0.00 H new ATOM 1273 N LEU A 84 -0.111 -1.923 2.210 1.00 0.00 N ATOM 1274 CA LEU A 84 -0.642 -3.112 1.513 1.00 0.00 C ATOM 1275 C LEU A 84 0.004 -3.196 0.140 1.00 0.00 C ATOM 1276 O LEU A 84 -0.587 -2.877 -0.872 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.157 -3.010 1.417 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.741 -4.225 0.696 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -2.359 -5.512 1.431 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -4.259 -4.093 0.683 1.00 0.00 C ATOM 0 H LEU A 84 -0.372 -1.025 1.803 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.407 -4.022 2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.585 -2.935 2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.431 -2.099 0.884 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.348 -4.269 -0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.781 -6.369 0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.273 -5.605 1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.750 -5.480 2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.695 -4.952 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.630 -4.054 1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.540 -3.179 0.160 1.00 0.00 H new ATOM 1292 N MET A 85 1.235 -3.621 0.114 1.00 0.00 N ATOM 1293 CA MET A 85 1.957 -3.732 -1.172 1.00 0.00 C ATOM 1294 C MET A 85 1.101 -4.524 -2.153 1.00 0.00 C ATOM 1295 O MET A 85 0.074 -5.065 -1.796 1.00 0.00 O ATOM 1296 CB MET A 85 3.291 -4.451 -0.945 1.00 0.00 C ATOM 1297 CG MET A 85 4.426 -3.428 -0.904 1.00 0.00 C ATOM 1298 SD MET A 85 5.885 -4.182 -0.142 1.00 0.00 S ATOM 1299 CE MET A 85 7.126 -3.185 -0.999 1.00 0.00 C ATOM 0 H MET A 85 1.771 -3.897 0.937 1.00 0.00 H new ATOM 0 HA MET A 85 2.152 -2.739 -1.578 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.259 -5.011 -0.010 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.467 -5.172 -1.743 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.662 -3.090 -1.913 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.119 -2.549 -0.337 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.118 -3.589 -0.799 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.934 -3.208 -2.072 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.075 -2.156 -0.643 1.00 0.00 H new ATOM 1309 N VAL A 86 1.509 -4.590 -3.387 1.00 0.00 N ATOM 1310 CA VAL A 86 0.712 -5.337 -4.393 1.00 0.00 C ATOM 1311 C VAL A 86 1.656 -5.990 -5.400 1.00 0.00 C ATOM 1312 O VAL A 86 2.488 -5.335 -5.995 1.00 0.00 O ATOM 1313 CB VAL A 86 -0.215 -4.359 -5.112 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -1.135 -5.126 -6.058 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -1.052 -3.602 -4.076 1.00 0.00 C ATOM 0 H VAL A 86 2.362 -4.158 -3.742 1.00 0.00 H new ATOM 0 HA VAL A 86 0.120 -6.110 -3.904 1.00 0.00 H new ATOM 0 HB VAL A 86 0.378 -3.649 -5.689 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.796 -4.426 -6.570 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.535 -5.663 -6.793 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.732 -5.837 -5.488 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.715 -2.903 -4.585 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.646 -4.311 -3.500 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.391 -3.053 -3.405 1.00 0.00 H new ATOM 1325 N THR A 87 1.545 -7.275 -5.595 1.00 0.00 N ATOM 1326 CA THR A 87 2.457 -7.944 -6.569 1.00 0.00 C ATOM 1327 C THR A 87 1.760 -9.149 -7.195 1.00 0.00 C ATOM 1328 O THR A 87 0.641 -9.466 -6.858 1.00 0.00 O ATOM 1329 CB THR A 87 3.718 -8.411 -5.840 1.00 0.00 C ATOM 1330 OG1 THR A 87 4.667 -8.880 -6.789 1.00 0.00 O ATOM 1331 CG2 THR A 87 3.355 -9.537 -4.876 1.00 0.00 C ATOM 0 H THR A 87 0.873 -7.885 -5.130 1.00 0.00 H new ATOM 0 HA THR A 87 2.723 -7.237 -7.355 1.00 0.00 H new ATOM 0 HB THR A 87 4.148 -7.580 -5.281 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.476 -9.178 -6.323 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.251 -9.873 -4.354 1.00 0.00 H new ATOM 0 HG22 THR A 87 2.627 -9.174 -4.150 1.00 0.00 H new ATOM 0 HG23 THR A 87 2.927 -10.370 -5.434 1.00 0.00 H new ATOM 1339 N ALA A 88 2.423 -9.820 -8.103 1.00 0.00 N ATOM 1340 CA ALA A 88 1.816 -11.014 -8.763 1.00 0.00 C ATOM 1341 C ALA A 88 2.682 -12.243 -8.479 1.00 0.00 C ATOM 1342 O ALA A 88 2.181 -13.310 -8.184 1.00 0.00 O ATOM 1343 CB ALA A 88 1.747 -10.779 -10.273 1.00 0.00 C ATOM 0 H ALA A 88 3.366 -9.589 -8.417 1.00 0.00 H new ATOM 0 HA ALA A 88 0.811 -11.177 -8.373 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.304 -11.650 -10.757 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.135 -9.900 -10.477 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.752 -10.620 -10.663 1.00 0.00 H new ATOM 1349 N GLU A 89 3.979 -12.098 -8.567 1.00 0.00 N ATOM 1350 CA GLU A 89 4.886 -13.254 -8.304 1.00 0.00 C ATOM 1351 C GLU A 89 5.457 -13.148 -6.889 1.00 0.00 C ATOM 1352 O GLU A 89 6.631 -12.894 -6.702 1.00 0.00 O ATOM 1353 CB GLU A 89 6.035 -13.239 -9.317 1.00 0.00 C ATOM 1354 CG GLU A 89 5.475 -13.006 -10.722 1.00 0.00 C ATOM 1355 CD GLU A 89 6.562 -13.292 -11.760 1.00 0.00 C ATOM 1356 OE1 GLU A 89 7.728 -13.181 -11.414 1.00 0.00 O ATOM 1357 OE2 GLU A 89 6.212 -13.617 -12.882 1.00 0.00 O ATOM 0 H GLU A 89 4.450 -11.226 -8.810 1.00 0.00 H new ATOM 0 HA GLU A 89 4.324 -14.183 -8.399 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.747 -12.454 -9.063 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.577 -14.184 -9.282 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.615 -13.653 -10.894 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.126 -11.978 -10.820 1.00 0.00 H new ATOM 1364 N ALA A 90 4.640 -13.342 -5.889 1.00 0.00 N ATOM 1365 CA ALA A 90 5.145 -13.252 -4.490 1.00 0.00 C ATOM 1366 C ALA A 90 6.149 -14.379 -4.240 1.00 0.00 C ATOM 1367 O ALA A 90 5.788 -15.534 -4.137 1.00 0.00 O ATOM 1368 CB ALA A 90 3.974 -13.384 -3.513 1.00 0.00 C ATOM 0 H ALA A 90 3.647 -13.558 -5.980 1.00 0.00 H new ATOM 0 HA ALA A 90 5.633 -12.289 -4.340 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.344 -13.318 -2.490 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.258 -12.582 -3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.484 -14.347 -3.660 1.00 0.00 H new ATOM 1374 N LYS A 91 7.410 -14.053 -4.147 1.00 0.00 N ATOM 1375 CA LYS A 91 8.437 -15.106 -3.909 1.00 0.00 C ATOM 1376 C LYS A 91 8.355 -15.587 -2.459 1.00 0.00 C ATOM 1377 O LYS A 91 7.408 -16.238 -2.063 1.00 0.00 O ATOM 1378 CB LYS A 91 9.829 -14.527 -4.174 1.00 0.00 C ATOM 1379 CG LYS A 91 10.886 -15.616 -3.945 1.00 0.00 C ATOM 1380 CD LYS A 91 11.862 -15.674 -5.129 1.00 0.00 C ATOM 1381 CE LYS A 91 12.728 -14.411 -5.152 1.00 0.00 C ATOM 1382 NZ LYS A 91 13.353 -14.264 -6.497 1.00 0.00 N ATOM 0 H LYS A 91 7.773 -13.103 -4.226 1.00 0.00 H new ATOM 0 HA LYS A 91 8.255 -15.946 -4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.891 -14.154 -5.196 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.014 -13.680 -3.513 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.433 -15.412 -3.024 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.399 -16.583 -3.819 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.495 -16.558 -5.047 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.309 -15.763 -6.064 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.120 -13.536 -4.924 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.500 -14.472 -4.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.942 -13.407 -6.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.946 -15.095 -6.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.609 -14.188 -7.219 1.00 0.00 H new ATOM 1396 N LYS A 92 9.342 -15.275 -1.664 1.00 0.00 N ATOM 1397 CA LYS A 92 9.324 -15.715 -0.241 1.00 0.00 C ATOM 1398 C LYS A 92 10.284 -14.844 0.571 1.00 0.00 C ATOM 1399 O LYS A 92 9.872 -13.979 1.318 1.00 0.00 O ATOM 1400 CB LYS A 92 9.764 -17.180 -0.159 1.00 0.00 C ATOM 1401 CG LYS A 92 9.691 -17.660 1.295 1.00 0.00 C ATOM 1402 CD LYS A 92 10.083 -19.138 1.373 1.00 0.00 C ATOM 1403 CE LYS A 92 11.597 -19.258 1.558 1.00 0.00 C ATOM 1404 NZ LYS A 92 11.994 -20.693 1.491 1.00 0.00 N ATOM 0 H LYS A 92 10.161 -14.733 -1.940 1.00 0.00 H new ATOM 0 HA LYS A 92 8.316 -15.615 0.162 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.124 -17.798 -0.789 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.781 -17.286 -0.537 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.358 -17.064 1.918 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.682 -17.521 1.683 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.566 -19.619 2.203 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.775 -19.655 0.464 1.00 0.00 H new ATOM 0 HE2 LYS A 92 12.115 -18.690 0.785 1.00 0.00 H new ATOM 0 HE3 LYS A 92 11.892 -18.833 2.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 13.023 -20.775 1.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.510 -21.223 2.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.726 -21.084 0.565 1.00 0.00 H new ATOM 1418 N GLU A 93 11.562 -15.067 0.432 1.00 0.00 N ATOM 1419 CA GLU A 93 12.551 -14.256 1.194 1.00 0.00 C ATOM 1420 C GLU A 93 12.190 -12.772 1.094 1.00 0.00 C ATOM 1421 O GLU A 93 12.686 -11.952 1.841 1.00 0.00 O ATOM 1422 CB GLU A 93 13.948 -14.480 0.612 1.00 0.00 C ATOM 1423 CG GLU A 93 14.998 -14.280 1.708 1.00 0.00 C ATOM 1424 CD GLU A 93 16.393 -14.254 1.081 1.00 0.00 C ATOM 1425 OE1 GLU A 93 16.592 -13.476 0.162 1.00 0.00 O ATOM 1426 OE2 GLU A 93 17.237 -15.014 1.527 1.00 0.00 O ATOM 0 H GLU A 93 11.964 -15.778 -0.179 1.00 0.00 H new ATOM 0 HA GLU A 93 12.537 -14.560 2.241 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.024 -15.486 0.200 1.00 0.00 H new ATOM 0 HB3 GLU A 93 14.127 -13.785 -0.209 1.00 0.00 H new ATOM 0 HG2 GLU A 93 14.810 -13.348 2.241 1.00 0.00 H new ATOM 0 HG3 GLU A 93 14.932 -15.084 2.440 1.00 0.00 H new ATOM 1433 N ASN A 94 11.333 -12.420 0.174 1.00 0.00 N ATOM 1434 CA ASN A 94 10.946 -10.990 0.024 1.00 0.00 C ATOM 1435 C ASN A 94 9.742 -10.686 0.917 1.00 0.00 C ATOM 1436 O ASN A 94 9.821 -9.898 1.838 1.00 0.00 O ATOM 1437 CB ASN A 94 10.581 -10.718 -1.436 1.00 0.00 C ATOM 1438 CG ASN A 94 11.840 -10.344 -2.220 1.00 0.00 C ATOM 1439 OD1 ASN A 94 11.757 -9.770 -3.287 1.00 0.00 O ATOM 1440 ND2 ASN A 94 13.013 -10.647 -1.733 1.00 0.00 N ATOM 0 H ASN A 94 10.885 -13.062 -0.480 1.00 0.00 H new ATOM 0 HA ASN A 94 11.781 -10.354 0.318 1.00 0.00 H new ATOM 0 HB2 ASN A 94 10.116 -11.600 -1.875 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.851 -9.911 -1.494 1.00 0.00 H new ATOM 0 HD21 ASN A 94 13.858 -10.402 -2.249 1.00 0.00 H new ATOM 0 HD22 ASN A 94 13.084 -11.129 -0.837 1.00 0.00 H new ATOM 1447 N ILE A 95 8.629 -11.304 0.647 1.00 0.00 N ATOM 1448 CA ILE A 95 7.413 -11.053 1.474 1.00 0.00 C ATOM 1449 C ILE A 95 7.774 -11.139 2.960 1.00 0.00 C ATOM 1450 O ILE A 95 7.290 -10.372 3.768 1.00 0.00 O ATOM 1451 CB ILE A 95 6.346 -12.100 1.138 1.00 0.00 C ATOM 1452 CG1 ILE A 95 5.531 -11.628 -0.068 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.408 -12.290 2.335 1.00 0.00 C ATOM 1454 CD1 ILE A 95 6.470 -11.309 -1.231 1.00 0.00 C ATOM 0 H ILE A 95 8.506 -11.974 -0.112 1.00 0.00 H new ATOM 0 HA ILE A 95 7.024 -10.058 1.258 1.00 0.00 H new ATOM 0 HB ILE A 95 6.835 -13.046 0.907 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.820 -12.400 -0.363 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.951 -10.744 0.196 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.652 -13.036 2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.983 -12.626 3.198 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.921 -11.343 2.570 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.886 -10.973 -2.088 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.163 -10.522 -0.934 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.031 -12.204 -1.502 1.00 0.00 H new ATOM 1466 N ILE A 96 8.615 -12.067 3.329 1.00 0.00 N ATOM 1467 CA ILE A 96 8.994 -12.194 4.765 1.00 0.00 C ATOM 1468 C ILE A 96 9.831 -10.988 5.189 1.00 0.00 C ATOM 1469 O ILE A 96 9.418 -10.190 6.006 1.00 0.00 O ATOM 1470 CB ILE A 96 9.810 -13.468 4.973 1.00 0.00 C ATOM 1471 CG1 ILE A 96 8.869 -14.674 5.022 1.00 0.00 C ATOM 1472 CG2 ILE A 96 10.577 -13.364 6.293 1.00 0.00 C ATOM 1473 CD1 ILE A 96 9.682 -15.963 4.891 1.00 0.00 C ATOM 0 H ILE A 96 9.054 -12.740 2.701 1.00 0.00 H new ATOM 0 HA ILE A 96 8.087 -12.238 5.367 1.00 0.00 H new ATOM 0 HB ILE A 96 10.513 -13.592 4.150 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.313 -14.676 5.959 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.137 -14.610 4.217 1.00 0.00 H new ATOM 0 HG21 ILE A 96 11.161 -14.271 6.447 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.245 -12.503 6.259 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.872 -13.243 7.115 1.00 0.00 H new ATOM 0 HD11 ILE A 96 9.011 -16.821 4.926 1.00 0.00 H new ATOM 0 HD12 ILE A 96 10.218 -15.960 3.942 1.00 0.00 H new ATOM 0 HD13 ILE A 96 10.397 -16.027 5.711 1.00 0.00 H new ATOM 1485 N ALA A 97 11.006 -10.856 4.639 1.00 0.00 N ATOM 1486 CA ALA A 97 11.885 -9.706 5.002 1.00 0.00 C ATOM 1487 C ALA A 97 11.056 -8.427 5.043 1.00 0.00 C ATOM 1488 O ALA A 97 11.061 -7.698 6.016 1.00 0.00 O ATOM 1489 CB ALA A 97 12.989 -9.559 3.953 1.00 0.00 C ATOM 0 H ALA A 97 11.398 -11.498 3.950 1.00 0.00 H new ATOM 0 HA ALA A 97 12.331 -9.884 5.980 1.00 0.00 H new ATOM 0 HB1 ALA A 97 13.632 -8.719 4.217 1.00 0.00 H new ATOM 0 HB2 ALA A 97 13.582 -10.473 3.918 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.541 -9.380 2.976 1.00 0.00 H new ATOM 1495 N ALA A 98 10.347 -8.151 3.991 1.00 0.00 N ATOM 1496 CA ALA A 98 9.513 -6.923 3.955 1.00 0.00 C ATOM 1497 C ALA A 98 8.499 -6.948 5.100 1.00 0.00 C ATOM 1498 O ALA A 98 8.290 -5.963 5.777 1.00 0.00 O ATOM 1499 CB ALA A 98 8.781 -6.858 2.618 1.00 0.00 C ATOM 0 H ALA A 98 10.308 -8.726 3.149 1.00 0.00 H new ATOM 0 HA ALA A 98 10.150 -6.046 4.068 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.166 -5.959 2.583 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.508 -6.832 1.806 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.145 -7.737 2.508 1.00 0.00 H new ATOM 1505 N ALA A 99 7.859 -8.057 5.326 1.00 0.00 N ATOM 1506 CA ALA A 99 6.866 -8.113 6.428 1.00 0.00 C ATOM 1507 C ALA A 99 7.495 -7.555 7.705 1.00 0.00 C ATOM 1508 O ALA A 99 6.910 -6.741 8.392 1.00 0.00 O ATOM 1509 CB ALA A 99 6.434 -9.561 6.660 1.00 0.00 C ATOM 0 H ALA A 99 7.979 -8.922 4.799 1.00 0.00 H new ATOM 0 HA ALA A 99 5.993 -7.517 6.160 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.705 -9.598 7.470 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.985 -9.957 5.749 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.303 -10.162 6.927 1.00 0.00 H new ATOM 1515 N GLN A 100 8.684 -7.985 8.030 1.00 0.00 N ATOM 1516 CA GLN A 100 9.348 -7.478 9.263 1.00 0.00 C ATOM 1517 C GLN A 100 9.499 -5.956 9.183 1.00 0.00 C ATOM 1518 O GLN A 100 9.612 -5.281 10.187 1.00 0.00 O ATOM 1519 CB GLN A 100 10.731 -8.119 9.397 1.00 0.00 C ATOM 1520 CG GLN A 100 10.588 -9.641 9.431 1.00 0.00 C ATOM 1521 CD GLN A 100 11.367 -10.202 10.622 1.00 0.00 C ATOM 1522 OE1 GLN A 100 10.927 -10.103 11.751 1.00 0.00 O ATOM 1523 NE2 GLN A 100 12.514 -10.789 10.418 1.00 0.00 N ATOM 0 H GLN A 100 9.223 -8.665 7.495 1.00 0.00 H new ATOM 0 HA GLN A 100 8.739 -7.734 10.130 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.364 -7.821 8.561 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.219 -7.769 10.307 1.00 0.00 H new ATOM 0 HG2 GLN A 100 9.536 -9.916 9.509 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.962 -10.073 8.503 1.00 0.00 H new ATOM 0 HE21 GLN A 100 12.883 -10.872 9.471 1.00 0.00 H new ATOM 0 HE22 GLN A 100 13.042 -11.165 11.206 1.00 0.00 H new ATOM 1532 N ALA A 101 9.509 -5.406 7.997 1.00 0.00 N ATOM 1533 CA ALA A 101 9.660 -3.925 7.867 1.00 0.00 C ATOM 1534 C ALA A 101 8.291 -3.249 8.025 1.00 0.00 C ATOM 1535 O ALA A 101 7.780 -3.121 9.121 1.00 0.00 O ATOM 1536 CB ALA A 101 10.255 -3.585 6.495 1.00 0.00 C ATOM 0 H ALA A 101 9.420 -5.914 7.117 1.00 0.00 H new ATOM 0 HA ALA A 101 10.329 -3.561 8.647 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.364 -2.504 6.403 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.232 -4.058 6.395 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.593 -3.951 5.710 1.00 0.00 H new ATOM 1542 N GLY A 102 7.699 -2.817 6.939 1.00 0.00 N ATOM 1543 CA GLY A 102 6.367 -2.149 7.002 1.00 0.00 C ATOM 1544 C GLY A 102 5.423 -2.795 5.985 1.00 0.00 C ATOM 1545 O GLY A 102 4.242 -2.533 5.967 1.00 0.00 O ATOM 0 H GLY A 102 8.089 -2.901 6.000 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.952 -2.236 8.006 1.00 0.00 H new ATOM 0 HA3 GLY A 102 6.472 -1.085 6.792 1.00 0.00 H new ATOM 1549 N ALA A 103 5.947 -3.674 5.174 1.00 0.00 N ATOM 1550 CA ALA A 103 5.141 -4.419 4.152 1.00 0.00 C ATOM 1551 C ALA A 103 4.006 -5.185 4.834 1.00 0.00 C ATOM 1552 O ALA A 103 3.412 -6.067 4.249 1.00 0.00 O ATOM 1553 CB ALA A 103 6.042 -5.399 3.410 1.00 0.00 C ATOM 0 H ALA A 103 6.937 -3.918 5.176 1.00 0.00 H new ATOM 0 HA ALA A 103 4.715 -3.706 3.446 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.456 -5.941 2.667 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.843 -4.852 2.912 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.472 -6.106 4.119 1.00 0.00 H new ATOM 1559 N SER A 104 3.780 -4.898 6.087 1.00 0.00 N ATOM 1560 CA SER A 104 2.748 -5.631 6.906 1.00 0.00 C ATOM 1561 C SER A 104 1.600 -6.145 6.040 1.00 0.00 C ATOM 1562 O SER A 104 1.032 -7.181 6.325 1.00 0.00 O ATOM 1563 CB SER A 104 2.155 -4.672 7.945 1.00 0.00 C ATOM 1564 OG SER A 104 3.149 -4.343 8.906 1.00 0.00 O ATOM 0 H SER A 104 4.276 -4.168 6.598 1.00 0.00 H new ATOM 0 HA SER A 104 3.244 -6.478 7.379 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.793 -3.768 7.456 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.298 -5.134 8.435 1.00 0.00 H new ATOM 0 HG SER A 104 2.772 -3.729 9.570 1.00 0.00 H new ATOM 1570 N GLY A 105 1.265 -5.452 4.991 1.00 0.00 N ATOM 1571 CA GLY A 105 0.163 -5.923 4.107 1.00 0.00 C ATOM 1572 C GLY A 105 0.720 -6.247 2.718 1.00 0.00 C ATOM 1573 O GLY A 105 1.420 -5.457 2.115 1.00 0.00 O ATOM 0 H GLY A 105 1.707 -4.578 4.706 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.308 -6.807 4.536 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.608 -5.156 4.031 1.00 0.00 H new ATOM 1577 N TYR A 106 0.408 -7.405 2.206 1.00 0.00 N ATOM 1578 CA TYR A 106 0.901 -7.786 0.853 1.00 0.00 C ATOM 1579 C TYR A 106 -0.176 -8.616 0.165 1.00 0.00 C ATOM 1580 O TYR A 106 -0.451 -9.738 0.546 1.00 0.00 O ATOM 1581 CB TYR A 106 2.200 -8.596 0.967 1.00 0.00 C ATOM 1582 CG TYR A 106 2.097 -9.881 0.166 1.00 0.00 C ATOM 1583 CD1 TYR A 106 2.332 -9.886 -1.219 1.00 0.00 C ATOM 1584 CD2 TYR A 106 1.779 -11.080 0.818 1.00 0.00 C ATOM 1585 CE1 TYR A 106 2.246 -11.086 -1.936 1.00 0.00 C ATOM 1586 CE2 TYR A 106 1.691 -12.274 0.097 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.927 -12.278 -1.278 1.00 0.00 C ATOM 1588 OH TYR A 106 1.843 -13.457 -1.988 1.00 0.00 O ATOM 0 H TYR A 106 -0.170 -8.107 2.669 1.00 0.00 H new ATOM 0 HA TYR A 106 1.111 -6.889 0.270 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.039 -8.002 0.606 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.401 -8.828 2.013 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.578 -8.967 -1.730 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.601 -11.081 1.883 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.427 -11.091 -3.001 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.440 -13.194 0.604 1.00 0.00 H new ATOM 0 HH TYR A 106 1.613 -14.190 -1.379 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.794 -8.063 -0.839 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.861 -8.801 -1.564 1.00 0.00 C ATOM 1600 C VAL A 107 -1.356 -9.148 -2.955 1.00 0.00 C ATOM 1601 O VAL A 107 -0.981 -8.283 -3.725 1.00 0.00 O ATOM 1602 CB VAL A 107 -3.104 -7.920 -1.691 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.799 -6.739 -2.615 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -4.253 -8.745 -2.281 1.00 0.00 C ATOM 0 H VAL A 107 -0.604 -7.125 -1.190 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.116 -9.708 -1.016 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.389 -7.548 -0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.685 -6.110 -2.706 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.980 -6.153 -2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.515 -7.111 -3.599 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.141 -8.119 -2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.967 -9.115 -3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.470 -9.588 -1.625 1.00 0.00 H new ATOM 1614 N VAL A 108 -1.355 -10.398 -3.305 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.893 -10.752 -4.663 1.00 0.00 C ATOM 1616 C VAL A 108 -1.797 -9.988 -5.639 1.00 0.00 C ATOM 1617 O VAL A 108 -2.657 -9.246 -5.220 1.00 0.00 O ATOM 1618 CB VAL A 108 -1.037 -12.267 -4.879 1.00 0.00 C ATOM 1619 CG1 VAL A 108 -0.130 -12.740 -6.023 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -0.650 -13.002 -3.595 1.00 0.00 C ATOM 0 H VAL A 108 -1.650 -11.178 -2.718 1.00 0.00 H new ATOM 0 HA VAL A 108 0.155 -10.491 -4.813 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.073 -12.484 -5.138 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.247 -13.815 -6.159 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.406 -12.225 -6.943 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.909 -12.516 -5.780 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.752 -14.077 -3.746 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.383 -12.768 -3.339 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.306 -12.686 -2.783 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.633 -10.146 -6.919 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.519 -9.400 -7.858 1.00 0.00 C ATOM 1632 C LYS A 109 -2.584 -10.154 -9.200 1.00 0.00 C ATOM 1633 O LYS A 109 -1.675 -10.896 -9.513 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.959 -7.977 -8.052 1.00 0.00 C ATOM 1635 CG LYS A 109 -1.405 -7.780 -9.472 1.00 0.00 C ATOM 1636 CD LYS A 109 -0.754 -6.399 -9.567 1.00 0.00 C ATOM 1637 CE LYS A 109 -0.381 -6.110 -11.022 1.00 0.00 C ATOM 1638 NZ LYS A 109 0.053 -4.690 -11.148 1.00 0.00 N ATOM 0 H LYS A 109 -0.935 -10.749 -7.354 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.528 -9.327 -7.453 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.745 -7.246 -7.862 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.170 -7.793 -7.323 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.675 -8.556 -9.702 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -2.207 -7.869 -10.205 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.439 -5.636 -9.198 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.135 -6.360 -8.938 1.00 0.00 H new ATOM 0 HE2 LYS A 109 0.419 -6.776 -11.343 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -1.235 -6.300 -11.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 0.307 -4.491 -12.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -0.724 -4.062 -10.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 0.879 -4.524 -10.538 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.623 -9.923 -9.984 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.755 -9.026 -9.644 1.00 0.00 C ATOM 1654 C PRO A 110 -5.661 -9.686 -8.594 1.00 0.00 C ATOM 1655 O PRO A 110 -5.582 -10.876 -8.365 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.538 -8.877 -10.956 1.00 0.00 C ATOM 1657 CG PRO A 110 -4.829 -9.745 -12.027 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.712 -10.527 -11.323 1.00 0.00 C ATOM 0 HA PRO A 110 -4.413 -8.074 -9.238 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.571 -9.200 -10.824 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.568 -7.833 -11.268 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.537 -10.428 -12.497 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.418 -9.118 -12.818 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.949 -11.589 -11.264 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.768 -10.440 -11.861 1.00 0.00 H new ATOM 1666 N PHE A 111 -6.517 -8.921 -7.961 1.00 0.00 N ATOM 1667 CA PHE A 111 -7.431 -9.501 -6.929 1.00 0.00 C ATOM 1668 C PHE A 111 -8.870 -9.112 -7.233 1.00 0.00 C ATOM 1669 O PHE A 111 -9.141 -8.136 -7.906 1.00 0.00 O ATOM 1670 CB PHE A 111 -7.079 -8.954 -5.535 1.00 0.00 C ATOM 1671 CG PHE A 111 -6.613 -7.524 -5.648 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -7.512 -6.514 -6.018 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -5.274 -7.214 -5.419 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -7.058 -5.201 -6.163 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.824 -5.899 -5.552 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.714 -4.892 -5.930 1.00 0.00 C ATOM 0 H PHE A 111 -6.622 -7.918 -8.115 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.316 -10.585 -6.947 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.950 -9.011 -4.882 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -6.299 -9.565 -5.081 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.552 -6.750 -6.190 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -4.582 -7.994 -5.138 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.747 -4.422 -6.456 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.788 -5.661 -5.363 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.365 -3.876 -6.042 1.00 0.00 H new ATOM 1686 N THR A 112 -9.793 -9.849 -6.702 1.00 0.00 N ATOM 1687 CA THR A 112 -11.219 -9.506 -6.893 1.00 0.00 C ATOM 1688 C THR A 112 -11.608 -8.628 -5.710 1.00 0.00 C ATOM 1689 O THR A 112 -11.101 -8.803 -4.620 1.00 0.00 O ATOM 1690 CB THR A 112 -12.072 -10.777 -6.903 1.00 0.00 C ATOM 1691 OG1 THR A 112 -11.250 -11.893 -7.214 1.00 0.00 O ATOM 1692 CG2 THR A 112 -13.177 -10.642 -7.950 1.00 0.00 C ATOM 0 H THR A 112 -9.619 -10.682 -6.139 1.00 0.00 H new ATOM 0 HA THR A 112 -11.379 -8.993 -7.841 1.00 0.00 H new ATOM 0 HB THR A 112 -12.523 -10.922 -5.922 1.00 0.00 H new ATOM 0 HG1 THR A 112 -11.794 -12.708 -7.219 1.00 0.00 H new ATOM 0 HG21 THR A 112 -13.784 -11.547 -7.957 1.00 0.00 H new ATOM 0 HG22 THR A 112 -13.806 -9.785 -7.707 1.00 0.00 H new ATOM 0 HG23 THR A 112 -12.730 -10.497 -8.934 1.00 0.00 H new ATOM 1700 N ALA A 113 -12.469 -7.674 -5.901 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.837 -6.790 -4.759 1.00 0.00 C ATOM 1702 C ALA A 113 -13.138 -7.642 -3.531 1.00 0.00 C ATOM 1703 O ALA A 113 -13.070 -7.176 -2.411 1.00 0.00 O ATOM 1704 CB ALA A 113 -14.058 -5.945 -5.123 1.00 0.00 C ATOM 0 H ALA A 113 -12.931 -7.466 -6.786 1.00 0.00 H new ATOM 0 HA ALA A 113 -12.004 -6.123 -4.538 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -14.319 -5.302 -4.282 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.828 -5.329 -5.993 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.898 -6.600 -5.354 1.00 0.00 H new ATOM 1710 N ALA A 114 -13.438 -8.894 -3.722 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.700 -9.762 -2.550 1.00 0.00 C ATOM 1712 C ALA A 114 -12.358 -10.233 -2.009 1.00 0.00 C ATOM 1713 O ALA A 114 -12.162 -10.350 -0.815 1.00 0.00 O ATOM 1714 CB ALA A 114 -14.550 -10.966 -2.965 1.00 0.00 C ATOM 0 H ALA A 114 -13.512 -9.349 -4.632 1.00 0.00 H new ATOM 0 HA ALA A 114 -14.245 -9.210 -1.785 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.736 -11.597 -2.096 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.500 -10.618 -3.371 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -14.020 -11.541 -3.724 1.00 0.00 H new ATOM 1720 N THR A 115 -11.417 -10.479 -2.879 1.00 0.00 N ATOM 1721 CA THR A 115 -10.078 -10.909 -2.406 1.00 0.00 C ATOM 1722 C THR A 115 -9.413 -9.716 -1.722 1.00 0.00 C ATOM 1723 O THR A 115 -9.099 -9.782 -0.550 1.00 0.00 O ATOM 1724 CB THR A 115 -9.233 -11.389 -3.583 1.00 0.00 C ATOM 1725 OG1 THR A 115 -9.657 -12.690 -3.966 1.00 0.00 O ATOM 1726 CG2 THR A 115 -7.758 -11.430 -3.179 1.00 0.00 C ATOM 0 H THR A 115 -11.520 -10.400 -3.891 1.00 0.00 H new ATOM 0 HA THR A 115 -10.173 -11.737 -1.703 1.00 0.00 H new ATOM 0 HB THR A 115 -9.356 -10.702 -4.420 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.117 -13.000 -4.723 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.159 -11.773 -4.023 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.433 -10.432 -2.886 1.00 0.00 H new ATOM 0 HG23 THR A 115 -7.629 -12.114 -2.340 1.00 0.00 H new ATOM 1734 N LEU A 116 -9.204 -8.612 -2.417 1.00 0.00 N ATOM 1735 CA LEU A 116 -8.580 -7.449 -1.730 1.00 0.00 C ATOM 1736 C LEU A 116 -9.334 -7.210 -0.413 1.00 0.00 C ATOM 1737 O LEU A 116 -8.741 -7.023 0.631 1.00 0.00 O ATOM 1738 CB LEU A 116 -8.704 -6.184 -2.607 1.00 0.00 C ATOM 1739 CG LEU A 116 -7.378 -5.374 -2.658 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -7.645 -3.916 -3.065 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -6.683 -5.332 -1.301 1.00 0.00 C ATOM 0 H LEU A 116 -9.435 -8.477 -3.401 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.525 -7.655 -1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.991 -6.472 -3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -9.500 -5.550 -2.217 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.745 -5.879 -3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -6.703 -3.368 -3.094 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -8.109 -3.893 -4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.312 -3.452 -2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.761 -4.756 -1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.341 -4.863 -0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.450 -6.347 -0.980 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.645 -7.212 -0.458 1.00 0.00 N ATOM 1754 CA GLU A 117 -11.436 -6.977 0.780 1.00 0.00 C ATOM 1755 C GLU A 117 -11.039 -7.983 1.863 1.00 0.00 C ATOM 1756 O GLU A 117 -10.758 -7.621 2.989 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.926 -7.128 0.468 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.736 -7.025 1.762 1.00 0.00 C ATOM 1759 CD GLU A 117 -14.165 -8.423 2.210 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -13.411 -9.354 1.984 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -15.242 -8.539 2.773 1.00 0.00 O ATOM 0 H GLU A 117 -11.197 -7.367 -1.302 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.234 -5.969 1.142 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -13.241 -6.355 -0.232 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -13.111 -8.088 -0.013 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -13.139 -6.550 2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -14.613 -6.397 1.605 1.00 0.00 H new ATOM 1768 N GLU A 118 -11.028 -9.242 1.536 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.668 -10.278 2.547 1.00 0.00 C ATOM 1770 C GLU A 118 -9.342 -9.919 3.226 1.00 0.00 C ATOM 1771 O GLU A 118 -9.302 -9.603 4.400 1.00 0.00 O ATOM 1772 CB GLU A 118 -10.534 -11.639 1.855 1.00 0.00 C ATOM 1773 CG GLU A 118 -10.963 -12.747 2.820 1.00 0.00 C ATOM 1774 CD GLU A 118 -10.514 -14.102 2.273 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -9.429 -14.166 1.720 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -11.263 -15.054 2.417 1.00 0.00 O ATOM 0 H GLU A 118 -11.253 -9.603 0.609 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.452 -10.323 3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.152 -11.665 0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.503 -11.798 1.538 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -10.525 -12.577 3.804 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -12.046 -12.735 2.947 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.255 -9.976 2.506 1.00 0.00 N ATOM 1784 CA LYS A 119 -6.931 -9.651 3.113 1.00 0.00 C ATOM 1785 C LYS A 119 -7.032 -8.372 3.949 1.00 0.00 C ATOM 1786 O LYS A 119 -6.386 -8.232 4.968 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.900 -9.448 2.002 1.00 0.00 C ATOM 1788 CG LYS A 119 -5.377 -10.809 1.534 1.00 0.00 C ATOM 1789 CD LYS A 119 -4.152 -11.208 2.367 1.00 0.00 C ATOM 1790 CE LYS A 119 -2.947 -10.334 1.997 1.00 0.00 C ATOM 1791 NZ LYS A 119 -2.498 -9.579 3.200 1.00 0.00 N ATOM 0 H LYS A 119 -8.226 -10.235 1.520 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.625 -10.475 3.758 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.351 -8.913 1.166 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.075 -8.835 2.365 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.158 -11.563 1.634 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.111 -10.763 0.478 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.375 -11.100 3.428 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.914 -12.258 2.196 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -2.135 -10.955 1.619 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.216 -9.642 1.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -2.048 -8.689 2.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.318 -9.368 3.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -1.813 -10.152 3.734 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.829 -7.432 3.524 1.00 0.00 N ATOM 1806 CA LEU A 120 -7.957 -6.163 4.294 1.00 0.00 C ATOM 1807 C LEU A 120 -8.542 -6.448 5.681 1.00 0.00 C ATOM 1808 O LEU A 120 -7.890 -6.262 6.689 1.00 0.00 O ATOM 1809 CB LEU A 120 -8.882 -5.203 3.540 1.00 0.00 C ATOM 1810 CG LEU A 120 -8.489 -3.759 3.858 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -7.400 -3.300 2.887 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -9.714 -2.853 3.714 1.00 0.00 C ATOM 0 H LEU A 120 -8.397 -7.487 2.678 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.971 -5.713 4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -8.813 -5.382 2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.919 -5.380 3.826 1.00 0.00 H new ATOM 0 HG LEU A 120 -8.113 -3.703 4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.120 -2.271 3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.527 -3.944 2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -7.776 -3.357 1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -9.434 -1.824 3.941 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -10.091 -2.910 2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -10.491 -3.179 4.406 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.768 -6.887 5.739 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.404 -7.171 7.059 1.00 0.00 C ATOM 1826 C ASN A 121 -9.443 -7.954 7.958 1.00 0.00 C ATOM 1827 O ASN A 121 -9.498 -7.859 9.168 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.677 -7.991 6.844 1.00 0.00 C ATOM 1829 CG ASN A 121 -12.902 -7.096 7.047 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -13.003 -6.403 8.040 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -13.842 -7.082 6.143 1.00 0.00 N ATOM 0 H ASN A 121 -10.360 -7.062 4.927 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.648 -6.225 7.542 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.685 -8.413 5.839 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -11.705 -8.828 7.542 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -14.662 -6.489 6.269 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -13.757 -7.664 5.310 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.568 -8.734 7.385 1.00 0.00 N ATOM 1839 CA LYS A 122 -7.619 -9.523 8.225 1.00 0.00 C ATOM 1840 C LYS A 122 -6.619 -8.581 8.900 1.00 0.00 C ATOM 1841 O LYS A 122 -6.368 -8.673 10.085 1.00 0.00 O ATOM 1842 CB LYS A 122 -6.865 -10.526 7.346 1.00 0.00 C ATOM 1843 CG LYS A 122 -5.539 -10.900 8.013 1.00 0.00 C ATOM 1844 CD LYS A 122 -5.028 -12.220 7.435 1.00 0.00 C ATOM 1845 CE LYS A 122 -3.557 -12.406 7.813 1.00 0.00 C ATOM 1846 NZ LYS A 122 -3.140 -13.806 7.515 1.00 0.00 N ATOM 0 H LYS A 122 -8.468 -8.860 6.378 1.00 0.00 H new ATOM 0 HA LYS A 122 -8.179 -10.061 8.990 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -7.471 -11.419 7.194 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.680 -10.095 6.362 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -4.804 -10.112 7.851 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -5.676 -10.992 9.090 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -5.621 -13.051 7.818 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -5.139 -12.222 6.351 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -2.936 -11.704 7.256 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -3.412 -12.190 8.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -2.140 -13.933 7.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -3.725 -14.467 8.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -3.263 -13.996 6.500 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.043 -7.684 8.156 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.052 -6.742 8.754 1.00 0.00 C ATOM 1862 C ILE A 123 -5.761 -5.763 9.688 1.00 0.00 C ATOM 1863 O ILE A 123 -5.239 -5.389 10.720 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.357 -5.955 7.641 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.301 -6.849 6.977 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -3.687 -4.710 8.242 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -2.696 -6.145 5.757 1.00 0.00 C ATOM 0 H ILE A 123 -6.213 -7.559 7.158 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.316 -7.314 9.318 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.087 -5.643 6.894 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.515 -7.088 7.694 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.753 -7.793 6.673 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.191 -4.147 7.452 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.443 -4.083 8.715 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.952 -5.016 8.986 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.949 -6.792 5.297 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -3.483 -5.929 5.034 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -2.225 -5.213 6.071 1.00 0.00 H new ATOM 1879 N PHE A 124 -6.934 -5.323 9.328 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.651 -4.348 10.189 1.00 0.00 C ATOM 1881 C PHE A 124 -8.124 -5.012 11.478 1.00 0.00 C ATOM 1882 O PHE A 124 -8.636 -4.360 12.366 1.00 0.00 O ATOM 1883 CB PHE A 124 -8.834 -3.766 9.426 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.315 -2.659 8.554 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -7.592 -2.969 7.399 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.538 -1.327 8.909 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -7.094 -1.944 6.596 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -8.039 -0.300 8.105 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.317 -0.610 6.947 1.00 0.00 C ATOM 0 H PHE A 124 -7.425 -5.597 8.477 1.00 0.00 H new ATOM 0 HA PHE A 124 -6.966 -3.543 10.456 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.315 -4.535 8.822 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.586 -3.387 10.118 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -7.419 -4.000 7.129 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -9.095 -1.092 9.804 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -6.536 -2.181 5.702 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.210 0.731 8.376 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.932 0.183 6.324 1.00 0.00 H new ATOM 1899 N GLU A 125 -7.940 -6.294 11.610 1.00 0.00 N ATOM 1900 CA GLU A 125 -8.364 -6.959 12.868 1.00 0.00 C ATOM 1901 C GLU A 125 -7.337 -6.621 13.945 1.00 0.00 C ATOM 1902 O GLU A 125 -7.616 -6.664 15.127 1.00 0.00 O ATOM 1903 CB GLU A 125 -8.431 -8.473 12.663 1.00 0.00 C ATOM 1904 CG GLU A 125 -8.845 -9.147 13.973 1.00 0.00 C ATOM 1905 CD GLU A 125 -9.480 -10.506 13.670 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -10.431 -10.536 12.906 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -9.006 -11.492 14.208 1.00 0.00 O ATOM 0 H GLU A 125 -7.519 -6.904 10.909 1.00 0.00 H new ATOM 0 HA GLU A 125 -9.353 -6.612 13.166 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -9.146 -8.713 11.876 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -7.461 -8.850 12.338 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -7.976 -9.276 14.618 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -9.552 -8.516 14.512 1.00 0.00 H new ATOM 1914 N LYS A 126 -6.152 -6.263 13.533 1.00 0.00 N ATOM 1915 CA LYS A 126 -5.096 -5.891 14.510 1.00 0.00 C ATOM 1916 C LYS A 126 -5.089 -4.369 14.651 1.00 0.00 C ATOM 1917 O LYS A 126 -4.675 -3.826 15.656 1.00 0.00 O ATOM 1918 CB LYS A 126 -3.735 -6.371 13.996 1.00 0.00 C ATOM 1919 CG LYS A 126 -2.622 -5.509 14.595 1.00 0.00 C ATOM 1920 CD LYS A 126 -1.290 -6.253 14.492 1.00 0.00 C ATOM 1921 CE LYS A 126 -0.137 -5.249 14.539 1.00 0.00 C ATOM 1922 NZ LYS A 126 0.265 -4.888 13.149 1.00 0.00 N ATOM 0 H LYS A 126 -5.870 -6.213 12.554 1.00 0.00 H new ATOM 0 HA LYS A 126 -5.292 -6.355 15.477 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -3.583 -7.416 14.265 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -3.706 -6.314 12.908 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -2.561 -4.557 14.068 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -2.844 -5.282 15.638 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -1.197 -6.968 15.310 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -1.251 -6.824 13.564 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -0.441 -4.356 15.085 1.00 0.00 H new ATOM 0 HE3 LYS A 126 0.710 -5.677 15.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 1.049 -4.205 13.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 0.571 -5.743 12.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -0.544 -4.463 12.653 1.00 0.00 H new ATOM 1936 N LEU A 127 -5.559 -3.678 13.646 1.00 0.00 N ATOM 1937 CA LEU A 127 -5.600 -2.192 13.709 1.00 0.00 C ATOM 1938 C LEU A 127 -6.898 -1.764 14.398 1.00 0.00 C ATOM 1939 O LEU A 127 -6.942 -0.770 15.096 1.00 0.00 O ATOM 1940 CB LEU A 127 -5.549 -1.613 12.286 1.00 0.00 C ATOM 1941 CG LEU A 127 -4.466 -0.531 12.188 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -4.720 0.557 13.233 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -3.088 -1.157 12.424 1.00 0.00 C ATOM 0 H LEU A 127 -5.917 -4.083 12.781 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.744 -1.820 14.272 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.343 -2.409 11.570 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.519 -1.191 12.023 1.00 0.00 H new ATOM 0 HG LEU A 127 -4.496 -0.086 11.193 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -3.947 1.322 13.157 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -5.696 1.009 13.058 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.698 0.116 14.230 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -2.321 -0.386 12.354 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -3.059 -1.609 13.416 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -2.902 -1.923 11.671 1.00 0.00 H new ATOM 1955 N GLY A 128 -7.953 -2.518 14.218 1.00 0.00 N ATOM 1956 CA GLY A 128 -9.250 -2.166 14.868 1.00 0.00 C ATOM 1957 C GLY A 128 -9.512 -0.664 14.728 1.00 0.00 C ATOM 1958 O GLY A 128 -9.218 0.110 15.616 1.00 0.00 O ATOM 0 H GLY A 128 -7.971 -3.363 13.648 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -10.062 -2.730 14.409 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -9.226 -2.443 15.922 1.00 0.00 H new ATOM 1962 N MET A 129 -10.063 -0.246 13.622 1.00 0.00 N ATOM 1963 CA MET A 129 -10.341 1.206 13.434 1.00 0.00 C ATOM 1964 C MET A 129 -11.743 1.528 13.955 1.00 0.00 C ATOM 1965 O MET A 129 -12.625 0.704 13.776 1.00 0.00 O ATOM 1966 CB MET A 129 -10.258 1.554 11.946 1.00 0.00 C ATOM 1967 CG MET A 129 -8.947 2.290 11.665 1.00 0.00 C ATOM 1968 SD MET A 129 -9.045 3.970 12.334 1.00 0.00 S ATOM 1969 CE MET A 129 -7.515 4.600 11.598 1.00 0.00 C ATOM 1970 OXT MET A 129 -11.911 2.594 14.526 1.00 0.00 O ATOM 0 H MET A 129 -10.332 -0.845 12.842 1.00 0.00 H new ATOM 0 HA MET A 129 -9.605 1.791 13.985 1.00 0.00 H new ATOM 0 HB2 MET A 129 -10.313 0.646 11.346 1.00 0.00 H new ATOM 0 HB3 MET A 129 -11.105 2.177 11.660 1.00 0.00 H new ATOM 0 HG2 MET A 129 -8.112 1.755 12.118 1.00 0.00 H new ATOM 0 HG3 MET A 129 -8.759 2.324 10.592 1.00 0.00 H new ATOM 0 HE1 MET A 129 -7.375 5.642 11.886 1.00 0.00 H new ATOM 0 HE2 MET A 129 -6.671 4.009 11.952 1.00 0.00 H new ATOM 0 HE3 MET A 129 -7.578 4.529 10.512 1.00 0.00 H new TER 1980 MET A 129