USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 584 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 60 ASN : amide:sc= -4.35! C(o=-7.1!,f=-20!) USER MOD Set 1.2: A 62 THR OG1 : rot 111:sc= -2.78! USER MOD Single : A 1 ALA N :NH3+ 140:sc= 0.0481 (180deg=0) USER MOD Single : A 5 SER OG : rot 3:sc= 0.523 USER MOD Single : A 8 GLN : amide:sc= -1.49! K(o=-1.5!,f=-0.0028) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 180:sc= -0.395 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.038 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.43) USER MOD Single : A 42 ASN : amide:sc= -1.32 X(o=-1.3,f=-1.2) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.263 USER MOD Single : A 49 GLN : amide:sc= -1.4! K(o=-1.4!,f=0) USER MOD Single : A 51 MET CE :methyl 151:sc= -0.254 (180deg=-1.61!) USER MOD Single : A 53 SER OG : rot 94:sc= 1.27 USER MOD Single : A 70 SER OG : rot 80:sc= 0.533 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 163:sc= -0.0455 (180deg=-0.465) USER MOD Single : A 75 LYS NZ :NH3+ 159:sc= -0.038 (180deg=-0.466) USER MOD Single : A 77 LYS NZ :NH3+ -165:sc= -0.0185 (180deg=-0.271) USER MOD Single : A 79 THR OG1 : rot -76:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -29.381 -5.160 -3.349 1.00 0.00 N ATOM 2 CA ALA A 1 -29.063 -5.099 -1.896 1.00 0.00 C ATOM 3 C ALA A 1 -27.720 -5.779 -1.642 1.00 0.00 C ATOM 4 O ALA A 1 -27.369 -6.748 -2.315 1.00 0.00 O ATOM 5 CB ALA A 1 -30.166 -5.807 -1.107 1.00 0.00 C ATOM 0 H1 ALA A 1 -30.394 -5.359 -3.475 1.00 0.00 H new ATOM 0 H2 ALA A 1 -29.149 -4.249 -3.794 1.00 0.00 H new ATOM 0 H3 ALA A 1 -28.822 -5.915 -3.795 1.00 0.00 H new ATOM 0 HA ALA A 1 -29.003 -4.059 -1.574 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -29.936 -5.764 -0.042 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -31.120 -5.314 -1.293 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -30.228 -6.848 -1.423 1.00 0.00 H new ATOM 13 N ASP A 2 -26.972 -5.262 -0.673 1.00 0.00 N ATOM 14 CA ASP A 2 -25.665 -5.819 -0.338 1.00 0.00 C ATOM 15 C ASP A 2 -25.315 -5.516 1.113 1.00 0.00 C ATOM 16 O ASP A 2 -26.134 -4.970 1.850 1.00 0.00 O ATOM 17 CB ASP A 2 -24.595 -5.219 -1.256 1.00 0.00 C ATOM 18 CG ASP A 2 -24.665 -3.695 -1.212 1.00 0.00 C ATOM 19 OD1 ASP A 2 -25.423 -3.179 -0.406 1.00 0.00 O ATOM 20 OD2 ASP A 2 -23.966 -3.066 -1.990 1.00 0.00 O ATOM 0 H ASP A 2 -27.247 -4.460 -0.106 1.00 0.00 H new ATOM 0 HA ASP A 2 -25.701 -6.900 -0.476 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -23.606 -5.555 -0.944 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -24.743 -5.569 -2.278 1.00 0.00 H new ATOM 25 N ILE A 3 -24.096 -5.882 1.505 1.00 0.00 N ATOM 26 CA ILE A 3 -23.614 -5.648 2.869 1.00 0.00 C ATOM 27 C ILE A 3 -24.383 -6.511 3.867 1.00 0.00 C ATOM 28 O ILE A 3 -25.082 -5.998 4.740 1.00 0.00 O ATOM 29 CB ILE A 3 -23.766 -4.164 3.233 1.00 0.00 C ATOM 30 CG1 ILE A 3 -23.156 -3.303 2.119 1.00 0.00 C ATOM 31 CG2 ILE A 3 -23.040 -3.866 4.547 1.00 0.00 C ATOM 32 CD1 ILE A 3 -23.398 -1.824 2.425 1.00 0.00 C ATOM 0 H ILE A 3 -23.420 -6.344 0.896 1.00 0.00 H new ATOM 0 HA ILE A 3 -22.560 -5.921 2.914 1.00 0.00 H new ATOM 0 HB ILE A 3 -24.825 -3.934 3.347 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -22.087 -3.498 2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -23.601 -3.564 1.159 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -23.155 -2.811 4.795 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -23.466 -4.475 5.344 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -21.981 -4.100 4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -22.964 -1.213 1.633 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -24.470 -1.635 2.483 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -22.932 -1.568 3.377 1.00 0.00 H new ATOM 44 N LEU A 4 -24.243 -7.826 3.728 1.00 0.00 N ATOM 45 CA LEU A 4 -24.919 -8.758 4.629 1.00 0.00 C ATOM 46 C LEU A 4 -24.213 -8.804 5.976 1.00 0.00 C ATOM 47 O LEU A 4 -24.852 -8.908 7.024 1.00 0.00 O ATOM 48 CB LEU A 4 -24.967 -10.163 4.019 1.00 0.00 C ATOM 49 CG LEU A 4 -25.829 -10.150 2.744 1.00 0.00 C ATOM 50 CD1 LEU A 4 -25.738 -11.516 2.060 1.00 0.00 C ATOM 51 CD2 LEU A 4 -27.304 -9.835 3.085 1.00 0.00 C ATOM 0 H LEU A 4 -23.673 -8.269 3.007 1.00 0.00 H new ATOM 0 HA LEU A 4 -25.940 -8.405 4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -23.958 -10.501 3.783 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -25.379 -10.868 4.740 1.00 0.00 H new ATOM 0 HG LEU A 4 -25.457 -9.374 2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -26.347 -11.512 1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -24.701 -11.723 1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -26.101 -12.288 2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -27.896 -9.831 2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -27.691 -10.595 3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -27.366 -8.857 3.562 1.00 0.00 H new ATOM 63 N SER A 5 -22.887 -8.725 5.937 1.00 0.00 N ATOM 64 CA SER A 5 -22.093 -8.759 7.160 1.00 0.00 C ATOM 65 C SER A 5 -20.735 -8.104 6.955 1.00 0.00 C ATOM 66 O SER A 5 -20.047 -7.808 7.928 1.00 0.00 O ATOM 67 CB SER A 5 -21.894 -10.197 7.621 1.00 0.00 C ATOM 68 OG SER A 5 -20.903 -10.229 8.640 1.00 0.00 O ATOM 0 H SER A 5 -22.343 -8.638 5.079 1.00 0.00 H new ATOM 0 HA SER A 5 -22.637 -8.202 7.922 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.833 -10.604 7.997 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.589 -10.822 6.781 1.00 0.00 H new ATOM 0 HG SER A 5 -20.606 -9.316 8.837 1.00 0.00 H new ATOM 74 N GLU A 6 -20.356 -7.911 5.684 1.00 0.00 N ATOM 75 CA GLU A 6 -19.071 -7.306 5.331 1.00 0.00 C ATOM 76 C GLU A 6 -17.922 -8.244 5.684 1.00 0.00 C ATOM 77 O GLU A 6 -17.196 -8.011 6.646 1.00 0.00 O ATOM 78 CB GLU A 6 -18.892 -5.968 6.059 1.00 0.00 C ATOM 79 CG GLU A 6 -19.983 -5.001 5.610 1.00 0.00 C ATOM 80 CD GLU A 6 -19.879 -3.702 6.400 1.00 0.00 C ATOM 81 OE1 GLU A 6 -18.982 -3.605 7.225 1.00 0.00 O ATOM 82 OE2 GLU A 6 -20.694 -2.826 6.173 1.00 0.00 O ATOM 0 H GLU A 6 -20.929 -8.169 4.880 1.00 0.00 H new ATOM 0 HA GLU A 6 -19.062 -7.129 4.256 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -18.944 -6.118 7.137 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.909 -5.551 5.842 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -19.885 -4.798 4.544 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -20.964 -5.451 5.760 1.00 0.00 H new ATOM 89 N GLU A 7 -17.760 -9.309 4.895 1.00 0.00 N ATOM 90 CA GLU A 7 -16.688 -10.276 5.137 1.00 0.00 C ATOM 91 C GLU A 7 -15.448 -9.921 4.324 1.00 0.00 C ATOM 92 O GLU A 7 -14.368 -9.720 4.879 1.00 0.00 O ATOM 93 CB GLU A 7 -17.164 -11.685 4.771 1.00 0.00 C ATOM 94 CG GLU A 7 -18.236 -12.131 5.768 1.00 0.00 C ATOM 95 CD GLU A 7 -18.781 -13.499 5.373 1.00 0.00 C ATOM 96 OE1 GLU A 7 -18.288 -14.056 4.407 1.00 0.00 O ATOM 97 OE2 GLU A 7 -19.684 -13.970 6.045 1.00 0.00 O ATOM 0 H GLU A 7 -18.351 -9.522 4.091 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.429 -10.246 6.195 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -17.567 -11.694 3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -16.325 -12.380 4.786 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -17.814 -12.175 6.772 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -19.046 -11.402 5.794 1.00 0.00 H new ATOM 104 N GLN A 8 -15.608 -9.839 3.007 1.00 0.00 N ATOM 105 CA GLN A 8 -14.488 -9.501 2.138 1.00 0.00 C ATOM 106 C GLN A 8 -13.955 -8.110 2.479 1.00 0.00 C ATOM 107 O GLN A 8 -12.748 -7.874 2.439 1.00 0.00 O ATOM 108 CB GLN A 8 -14.921 -9.546 0.664 1.00 0.00 C ATOM 109 CG GLN A 8 -16.328 -8.965 0.520 1.00 0.00 C ATOM 110 CD GLN A 8 -16.681 -8.806 -0.955 1.00 0.00 C ATOM 111 OE1 GLN A 8 -17.819 -8.477 -1.289 1.00 0.00 O ATOM 112 NE2 GLN A 8 -15.770 -9.025 -1.865 1.00 0.00 N ATOM 0 H GLN A 8 -16.491 -10.000 2.523 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.696 -10.233 2.296 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.219 -8.980 0.052 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -14.903 -10.574 0.301 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -17.051 -9.619 1.007 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -16.384 -7.999 1.022 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.827 -9.298 -1.587 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -16.001 -8.923 -2.853 1.00 0.00 H new ATOM 121 N ILE A 9 -14.859 -7.197 2.821 1.00 0.00 N ATOM 122 CA ILE A 9 -14.458 -5.838 3.168 1.00 0.00 C ATOM 123 C ILE A 9 -13.569 -5.858 4.404 1.00 0.00 C ATOM 124 O ILE A 9 -12.551 -5.167 4.455 1.00 0.00 O ATOM 125 CB ILE A 9 -15.689 -4.967 3.422 1.00 0.00 C ATOM 126 CG1 ILE A 9 -16.644 -5.058 2.222 1.00 0.00 C ATOM 127 CG2 ILE A 9 -15.263 -3.511 3.632 1.00 0.00 C ATOM 128 CD1 ILE A 9 -15.918 -4.691 0.919 1.00 0.00 C ATOM 0 H ILE A 9 -15.863 -7.370 2.865 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.899 -5.415 2.334 1.00 0.00 H new ATOM 0 HB ILE A 9 -16.199 -5.323 4.317 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -17.046 -6.068 2.147 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -17.490 -4.388 2.373 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -16.145 -2.896 3.812 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -14.595 -3.448 4.491 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -14.746 -3.151 2.742 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.613 -4.762 0.083 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.538 -3.672 0.989 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.087 -5.378 0.760 1.00 0.00 H new ATOM 140 N VAL A 10 -13.945 -6.655 5.396 1.00 0.00 N ATOM 141 CA VAL A 10 -13.153 -6.750 6.612 1.00 0.00 C ATOM 142 C VAL A 10 -11.760 -7.285 6.288 1.00 0.00 C ATOM 143 O VAL A 10 -10.761 -6.768 6.789 1.00 0.00 O ATOM 144 CB VAL A 10 -13.845 -7.663 7.632 1.00 0.00 C ATOM 145 CG1 VAL A 10 -12.894 -7.948 8.802 1.00 0.00 C ATOM 146 CG2 VAL A 10 -15.109 -6.968 8.163 1.00 0.00 C ATOM 0 H VAL A 10 -14.782 -7.237 5.383 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.059 -5.754 7.046 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.116 -8.602 7.149 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.390 -8.597 9.524 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.996 -8.440 8.429 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -12.620 -7.010 9.285 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -15.603 -7.615 8.888 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.833 -6.029 8.643 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -15.789 -6.766 7.335 1.00 0.00 H new ATOM 156 N ASP A 11 -11.690 -8.318 5.448 1.00 0.00 N ATOM 157 CA ASP A 11 -10.397 -8.884 5.088 1.00 0.00 C ATOM 158 C ASP A 11 -9.506 -7.804 4.487 1.00 0.00 C ATOM 159 O ASP A 11 -8.389 -7.578 4.952 1.00 0.00 O ATOM 160 CB ASP A 11 -10.586 -10.016 4.075 1.00 0.00 C ATOM 161 CG ASP A 11 -11.481 -11.102 4.664 1.00 0.00 C ATOM 162 OD1 ASP A 11 -11.538 -11.198 5.878 1.00 0.00 O ATOM 163 OD2 ASP A 11 -12.094 -11.818 3.891 1.00 0.00 O ATOM 0 H ASP A 11 -12.495 -8.769 5.014 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.924 -9.281 5.986 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.030 -9.625 3.159 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.618 -10.438 3.805 1.00 0.00 H new ATOM 168 N PHE A 12 -10.011 -7.131 3.458 1.00 0.00 N ATOM 169 CA PHE A 12 -9.239 -6.074 2.821 1.00 0.00 C ATOM 170 C PHE A 12 -8.962 -4.962 3.820 1.00 0.00 C ATOM 171 O PHE A 12 -7.820 -4.531 3.981 1.00 0.00 O ATOM 172 CB PHE A 12 -9.982 -5.505 1.615 1.00 0.00 C ATOM 173 CG PHE A 12 -10.080 -6.555 0.524 1.00 0.00 C ATOM 174 CD1 PHE A 12 -8.914 -7.078 -0.059 1.00 0.00 C ATOM 175 CD2 PHE A 12 -11.334 -7.009 0.095 1.00 0.00 C ATOM 176 CE1 PHE A 12 -9.007 -8.046 -1.066 1.00 0.00 C ATOM 177 CE2 PHE A 12 -11.420 -7.978 -0.914 1.00 0.00 C ATOM 178 CZ PHE A 12 -10.256 -8.495 -1.492 1.00 0.00 C ATOM 0 H PHE A 12 -10.933 -7.295 3.055 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.297 -6.501 2.477 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.980 -5.182 1.911 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -9.461 -4.625 1.238 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.945 -6.733 0.270 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -12.234 -6.613 0.542 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.109 -8.446 -1.514 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.387 -8.326 -1.246 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.325 -9.242 -2.269 1.00 0.00 H new ATOM 188 N LYS A 13 -10.010 -4.489 4.488 1.00 0.00 N ATOM 189 CA LYS A 13 -9.854 -3.421 5.461 1.00 0.00 C ATOM 190 C LYS A 13 -8.804 -3.802 6.494 1.00 0.00 C ATOM 191 O LYS A 13 -8.016 -2.958 6.923 1.00 0.00 O ATOM 192 CB LYS A 13 -11.198 -3.152 6.153 1.00 0.00 C ATOM 193 CG LYS A 13 -11.103 -1.944 7.103 1.00 0.00 C ATOM 194 CD LYS A 13 -10.969 -0.639 6.305 1.00 0.00 C ATOM 195 CE LYS A 13 -11.292 0.551 7.211 1.00 0.00 C ATOM 196 NZ LYS A 13 -11.100 1.816 6.449 1.00 0.00 N ATOM 0 H LYS A 13 -10.966 -4.826 4.373 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.527 -2.517 4.947 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.966 -2.968 5.402 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.505 -4.035 6.713 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.990 -1.901 7.735 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.245 -2.062 7.765 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.957 -0.544 5.910 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.645 -0.652 5.450 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.319 0.481 7.570 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.646 0.540 8.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.319 2.627 7.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.113 1.881 6.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.734 1.824 5.625 1.00 0.00 H new ATOM 210 N GLU A 14 -8.779 -5.069 6.885 1.00 0.00 N ATOM 211 CA GLU A 14 -7.798 -5.524 7.859 1.00 0.00 C ATOM 212 C GLU A 14 -6.410 -5.441 7.270 1.00 0.00 C ATOM 213 O GLU A 14 -5.461 -5.049 7.943 1.00 0.00 O ATOM 214 CB GLU A 14 -8.077 -6.962 8.251 1.00 0.00 C ATOM 215 CG GLU A 14 -7.183 -7.361 9.432 1.00 0.00 C ATOM 216 CD GLU A 14 -7.643 -6.653 10.705 1.00 0.00 C ATOM 217 OE1 GLU A 14 -8.688 -6.025 10.668 1.00 0.00 O ATOM 218 OE2 GLU A 14 -6.940 -6.749 11.699 1.00 0.00 O ATOM 0 H GLU A 14 -9.417 -5.790 6.548 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.865 -4.885 8.740 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.126 -7.078 8.522 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.892 -7.622 7.404 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.218 -8.441 9.575 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.147 -7.101 9.217 1.00 0.00 H new ATOM 225 N ALA A 15 -6.302 -5.801 6.002 1.00 0.00 N ATOM 226 CA ALA A 15 -5.011 -5.749 5.326 1.00 0.00 C ATOM 227 C ALA A 15 -4.497 -4.314 5.295 1.00 0.00 C ATOM 228 O ALA A 15 -3.345 -4.056 5.640 1.00 0.00 O ATOM 229 CB ALA A 15 -5.114 -6.296 3.896 1.00 0.00 C ATOM 0 H ALA A 15 -7.077 -6.128 5.425 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.311 -6.373 5.882 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.137 -6.245 3.416 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.450 -7.332 3.926 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.829 -5.699 3.329 1.00 0.00 H new ATOM 235 N PHE A 16 -5.353 -3.376 4.887 1.00 0.00 N ATOM 236 CA PHE A 16 -4.959 -1.974 4.830 1.00 0.00 C ATOM 237 C PHE A 16 -4.615 -1.450 6.223 1.00 0.00 C ATOM 238 O PHE A 16 -3.577 -0.821 6.418 1.00 0.00 O ATOM 239 CB PHE A 16 -6.102 -1.144 4.248 1.00 0.00 C ATOM 240 CG PHE A 16 -5.700 0.308 4.204 1.00 0.00 C ATOM 241 CD1 PHE A 16 -5.947 1.135 5.306 1.00 0.00 C ATOM 242 CD2 PHE A 16 -5.080 0.830 3.062 1.00 0.00 C ATOM 243 CE1 PHE A 16 -5.574 2.482 5.267 1.00 0.00 C ATOM 244 CE2 PHE A 16 -4.709 2.179 3.024 1.00 0.00 C ATOM 245 CZ PHE A 16 -4.956 3.003 4.127 1.00 0.00 C ATOM 0 H PHE A 16 -6.312 -3.562 4.595 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.076 -1.890 4.196 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.346 -1.495 3.245 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -6.999 -1.265 4.855 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.426 0.733 6.186 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.888 0.192 2.212 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.763 3.120 6.118 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.232 2.584 2.143 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.669 4.044 4.098 1.00 0.00 H new ATOM 255 N GLY A 17 -5.500 -1.704 7.184 1.00 0.00 N ATOM 256 CA GLY A 17 -5.276 -1.236 8.545 1.00 0.00 C ATOM 257 C GLY A 17 -3.923 -1.707 9.046 1.00 0.00 C ATOM 258 O GLY A 17 -3.139 -0.923 9.581 1.00 0.00 O ATOM 0 H GLY A 17 -6.367 -2.224 7.047 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.324 -0.147 8.575 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.064 -1.608 9.200 1.00 0.00 H new ATOM 262 N LEU A 18 -3.639 -2.990 8.858 1.00 0.00 N ATOM 263 CA LEU A 18 -2.364 -3.541 9.284 1.00 0.00 C ATOM 264 C LEU A 18 -1.224 -2.860 8.526 1.00 0.00 C ATOM 265 O LEU A 18 -0.163 -2.595 9.088 1.00 0.00 O ATOM 266 CB LEU A 18 -2.358 -5.079 9.046 1.00 0.00 C ATOM 267 CG LEU A 18 -2.353 -5.851 10.374 1.00 0.00 C ATOM 268 CD1 LEU A 18 -3.714 -5.704 11.056 1.00 0.00 C ATOM 269 CD2 LEU A 18 -2.078 -7.333 10.092 1.00 0.00 C ATOM 0 H LEU A 18 -4.269 -3.661 8.418 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.219 -3.356 10.348 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.234 -5.362 8.462 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.481 -5.355 8.460 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.578 -5.452 11.028 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.710 -6.252 11.998 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.912 -4.650 11.250 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.492 -6.105 10.406 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.073 -7.887 11.031 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.856 -7.730 9.440 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.109 -7.437 9.604 1.00 0.00 H new ATOM 281 N PHE A 19 -1.449 -2.589 7.250 1.00 0.00 N ATOM 282 CA PHE A 19 -0.434 -1.949 6.422 1.00 0.00 C ATOM 283 C PHE A 19 -0.179 -0.538 6.894 1.00 0.00 C ATOM 284 O PHE A 19 0.969 -0.114 7.034 1.00 0.00 O ATOM 285 CB PHE A 19 -0.901 -1.940 4.969 1.00 0.00 C ATOM 286 CG PHE A 19 -0.866 -3.350 4.366 1.00 0.00 C ATOM 287 CD1 PHE A 19 -0.742 -4.512 5.175 1.00 0.00 C ATOM 288 CD2 PHE A 19 -0.959 -3.498 2.973 1.00 0.00 C ATOM 289 CE1 PHE A 19 -0.713 -5.777 4.591 1.00 0.00 C ATOM 290 CE2 PHE A 19 -0.927 -4.777 2.395 1.00 0.00 C ATOM 291 CZ PHE A 19 -0.804 -5.913 3.205 1.00 0.00 C ATOM 0 H PHE A 19 -2.321 -2.800 6.765 1.00 0.00 H new ATOM 0 HA PHE A 19 0.497 -2.510 6.502 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.914 -1.543 4.913 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.265 -1.276 4.384 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.670 -4.414 6.248 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.055 -2.625 2.344 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.620 -6.655 5.213 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.997 -4.885 1.323 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.780 -6.895 2.757 1.00 0.00 H new ATOM 301 N ASP A 20 -1.246 0.180 7.139 1.00 0.00 N ATOM 302 CA ASP A 20 -1.136 1.543 7.596 1.00 0.00 C ATOM 303 C ASP A 20 -0.823 1.567 9.089 1.00 0.00 C ATOM 304 O ASP A 20 -1.504 2.228 9.873 1.00 0.00 O ATOM 305 CB ASP A 20 -2.455 2.231 7.313 1.00 0.00 C ATOM 306 CG ASP A 20 -2.313 3.735 7.480 1.00 0.00 C ATOM 307 OD1 ASP A 20 -2.509 4.218 8.581 1.00 0.00 O ATOM 308 OD2 ASP A 20 -2.013 4.387 6.495 1.00 0.00 O ATOM 0 H ASP A 20 -2.202 -0.157 7.030 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.328 2.061 7.079 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.783 2.000 6.299 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.222 1.854 7.990 1.00 0.00 H new ATOM 313 N LYS A 21 0.197 0.804 9.471 1.00 0.00 N ATOM 314 CA LYS A 21 0.599 0.692 10.870 1.00 0.00 C ATOM 315 C LYS A 21 0.516 2.032 11.593 1.00 0.00 C ATOM 316 O LYS A 21 0.343 2.068 12.811 1.00 0.00 O ATOM 317 CB LYS A 21 2.039 0.161 10.965 1.00 0.00 C ATOM 318 CG LYS A 21 2.311 -0.377 12.386 1.00 0.00 C ATOM 319 CD LYS A 21 1.882 -1.846 12.492 1.00 0.00 C ATOM 320 CE LYS A 21 2.117 -2.345 13.920 1.00 0.00 C ATOM 321 NZ LYS A 21 1.644 -3.753 14.031 1.00 0.00 N ATOM 0 H LYS A 21 0.763 0.251 8.827 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.091 -0.002 11.350 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.192 -0.631 10.232 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.745 0.957 10.727 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.371 -0.283 12.621 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.768 0.221 13.118 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.829 -1.948 12.228 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.448 -2.453 11.786 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.176 -2.284 14.170 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.585 -1.713 14.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.802 -4.097 15.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.629 -3.797 13.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.171 -4.350 13.362 1.00 0.00 H new ATOM 335 N ASP A 22 0.645 3.136 10.860 1.00 0.00 N ATOM 336 CA ASP A 22 0.584 4.455 11.482 1.00 0.00 C ATOM 337 C ASP A 22 -0.861 4.903 11.715 1.00 0.00 C ATOM 338 O ASP A 22 -1.137 5.677 12.632 1.00 0.00 O ATOM 339 CB ASP A 22 1.291 5.469 10.589 1.00 0.00 C ATOM 340 CG ASP A 22 0.582 5.559 9.247 1.00 0.00 C ATOM 341 OD1 ASP A 22 -0.207 4.674 8.954 1.00 0.00 O ATOM 342 OD2 ASP A 22 0.841 6.507 8.525 1.00 0.00 O ATOM 0 H ASP A 22 0.790 3.144 9.850 1.00 0.00 H new ATOM 0 HA ASP A 22 1.079 4.394 12.451 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.301 6.447 11.071 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.330 5.175 10.442 1.00 0.00 H new ATOM 347 N GLY A 23 -1.783 4.413 10.887 1.00 0.00 N ATOM 348 CA GLY A 23 -3.194 4.775 11.026 1.00 0.00 C ATOM 349 C GLY A 23 -3.496 6.145 10.409 1.00 0.00 C ATOM 350 O GLY A 23 -4.557 6.718 10.655 1.00 0.00 O ATOM 0 H GLY A 23 -1.582 3.771 10.120 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.812 4.016 10.546 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.464 4.785 12.082 1.00 0.00 H new ATOM 354 N ASP A 24 -2.558 6.681 9.630 1.00 0.00 N ATOM 355 CA ASP A 24 -2.752 7.994 9.024 1.00 0.00 C ATOM 356 C ASP A 24 -3.924 7.969 8.051 1.00 0.00 C ATOM 357 O ASP A 24 -4.369 9.012 7.574 1.00 0.00 O ATOM 358 CB ASP A 24 -1.482 8.439 8.292 1.00 0.00 C ATOM 359 CG ASP A 24 -1.165 7.478 7.149 1.00 0.00 C ATOM 360 OD1 ASP A 24 -2.023 6.682 6.819 1.00 0.00 O ATOM 361 OD2 ASP A 24 -0.069 7.558 6.619 1.00 0.00 O ATOM 0 H ASP A 24 -1.669 6.233 9.407 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.971 8.705 9.821 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.614 9.448 7.902 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.645 8.474 8.990 1.00 0.00 H new ATOM 366 N GLY A 25 -4.422 6.769 7.758 1.00 0.00 N ATOM 367 CA GLY A 25 -5.546 6.615 6.841 1.00 0.00 C ATOM 368 C GLY A 25 -5.059 6.421 5.410 1.00 0.00 C ATOM 369 O GLY A 25 -5.823 6.014 4.537 1.00 0.00 O ATOM 0 H GLY A 25 -4.066 5.894 8.141 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.151 5.760 7.142 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.187 7.495 6.895 1.00 0.00 H new ATOM 373 N CYS A 26 -3.782 6.734 5.172 1.00 0.00 N ATOM 374 CA CYS A 26 -3.200 6.605 3.828 1.00 0.00 C ATOM 375 C CYS A 26 -1.840 5.911 3.882 1.00 0.00 C ATOM 376 O CYS A 26 -1.003 6.239 4.720 1.00 0.00 O ATOM 377 CB CYS A 26 -3.037 7.997 3.200 1.00 0.00 C ATOM 378 SG CYS A 26 -4.472 9.019 3.615 1.00 0.00 S ATOM 0 H CYS A 26 -3.135 7.075 5.883 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.874 5.999 3.222 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.124 8.468 3.565 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -2.940 7.910 2.118 1.00 0.00 H new ATOM 0 HG CYS A 26 -4.333 10.198 3.085 1.00 0.00 H new ATOM 384 N ILE A 27 -1.617 4.964 2.966 1.00 0.00 N ATOM 385 CA ILE A 27 -0.342 4.245 2.905 1.00 0.00 C ATOM 386 C ILE A 27 0.529 4.850 1.808 1.00 0.00 C ATOM 387 O ILE A 27 0.180 4.779 0.629 1.00 0.00 O ATOM 388 CB ILE A 27 -0.573 2.768 2.571 1.00 0.00 C ATOM 389 CG1 ILE A 27 -1.476 2.114 3.623 1.00 0.00 C ATOM 390 CG2 ILE A 27 0.775 2.039 2.552 1.00 0.00 C ATOM 391 CD1 ILE A 27 -2.004 0.789 3.074 1.00 0.00 C ATOM 0 H ILE A 27 -2.297 4.679 2.262 1.00 0.00 H new ATOM 0 HA ILE A 27 0.146 4.328 3.876 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.055 2.700 1.596 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.918 1.944 4.544 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.306 2.776 3.870 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.616 0.987 2.315 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.421 2.488 1.797 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.248 2.123 3.531 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.647 0.318 3.817 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.575 0.974 2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.166 0.129 2.848 1.00 0.00 H new ATOM 403 N THR A 28 1.661 5.435 2.185 1.00 0.00 N ATOM 404 CA THR A 28 2.551 6.028 1.191 1.00 0.00 C ATOM 405 C THR A 28 3.345 4.930 0.499 1.00 0.00 C ATOM 406 O THR A 28 3.384 3.794 0.974 1.00 0.00 O ATOM 407 CB THR A 28 3.518 7.013 1.857 1.00 0.00 C ATOM 408 OG1 THR A 28 4.385 6.308 2.733 1.00 0.00 O ATOM 409 CG2 THR A 28 2.726 8.047 2.654 1.00 0.00 C ATOM 0 H THR A 28 1.980 5.511 3.151 1.00 0.00 H new ATOM 0 HA THR A 28 1.949 6.566 0.459 1.00 0.00 H new ATOM 0 HB THR A 28 4.105 7.517 1.089 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.004 6.938 3.157 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.415 8.747 3.127 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.060 8.590 1.984 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.138 7.543 3.421 1.00 0.00 H new ATOM 417 N VAL A 29 3.969 5.258 -0.625 1.00 0.00 N ATOM 418 CA VAL A 29 4.741 4.258 -1.355 1.00 0.00 C ATOM 419 C VAL A 29 5.836 3.674 -0.467 1.00 0.00 C ATOM 420 O VAL A 29 6.088 2.469 -0.494 1.00 0.00 O ATOM 421 CB VAL A 29 5.363 4.867 -2.614 1.00 0.00 C ATOM 422 CG1 VAL A 29 6.215 6.077 -2.229 1.00 0.00 C ATOM 423 CG2 VAL A 29 6.247 3.821 -3.307 1.00 0.00 C ATOM 0 H VAL A 29 3.958 6.187 -1.045 1.00 0.00 H new ATOM 0 HA VAL A 29 4.062 3.458 -1.651 1.00 0.00 H new ATOM 0 HB VAL A 29 4.570 5.181 -3.293 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.658 6.510 -3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.589 6.821 -1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.007 5.763 -1.549 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.690 4.255 -4.203 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.039 3.506 -2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.641 2.958 -3.583 1.00 0.00 H new ATOM 433 N GLU A 30 6.479 4.526 0.326 1.00 0.00 N ATOM 434 CA GLU A 30 7.529 4.067 1.219 1.00 0.00 C ATOM 435 C GLU A 30 6.968 3.059 2.218 1.00 0.00 C ATOM 436 O GLU A 30 7.588 2.029 2.492 1.00 0.00 O ATOM 437 CB GLU A 30 8.127 5.257 1.966 1.00 0.00 C ATOM 438 CG GLU A 30 8.928 6.125 0.993 1.00 0.00 C ATOM 439 CD GLU A 30 9.474 7.352 1.717 1.00 0.00 C ATOM 440 OE1 GLU A 30 9.176 7.504 2.890 1.00 0.00 O ATOM 441 OE2 GLU A 30 10.178 8.121 1.087 1.00 0.00 O ATOM 0 H GLU A 30 6.291 5.528 0.366 1.00 0.00 H new ATOM 0 HA GLU A 30 8.307 3.583 0.629 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.334 5.846 2.426 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.772 4.906 2.772 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.749 5.547 0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.294 6.435 0.162 1.00 0.00 H new ATOM 448 N GLU A 31 5.784 3.351 2.744 1.00 0.00 N ATOM 449 CA GLU A 31 5.141 2.457 3.692 1.00 0.00 C ATOM 450 C GLU A 31 4.694 1.181 2.997 1.00 0.00 C ATOM 451 O GLU A 31 4.813 0.087 3.545 1.00 0.00 O ATOM 452 CB GLU A 31 3.937 3.154 4.315 1.00 0.00 C ATOM 453 CG GLU A 31 4.415 4.273 5.242 1.00 0.00 C ATOM 454 CD GLU A 31 3.226 5.113 5.680 1.00 0.00 C ATOM 455 OE1 GLU A 31 2.463 5.512 4.816 1.00 0.00 O ATOM 456 OE2 GLU A 31 3.079 5.333 6.871 1.00 0.00 O ATOM 0 H GLU A 31 5.254 4.196 2.530 1.00 0.00 H new ATOM 0 HA GLU A 31 5.856 2.197 4.473 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.297 3.564 3.534 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.337 2.436 4.874 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.915 3.849 6.113 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.145 4.898 4.728 1.00 0.00 H new ATOM 463 N LEU A 32 4.188 1.324 1.777 1.00 0.00 N ATOM 464 CA LEU A 32 3.748 0.158 1.030 1.00 0.00 C ATOM 465 C LEU A 32 4.959 -0.738 0.791 1.00 0.00 C ATOM 466 O LEU A 32 4.898 -1.952 0.979 1.00 0.00 O ATOM 467 CB LEU A 32 3.107 0.586 -0.310 1.00 0.00 C ATOM 468 CG LEU A 32 2.086 -0.462 -0.809 1.00 0.00 C ATOM 469 CD1 LEU A 32 2.686 -1.869 -0.753 1.00 0.00 C ATOM 470 CD2 LEU A 32 0.803 -0.414 0.039 1.00 0.00 C ATOM 0 H LEU A 32 4.075 2.216 1.295 1.00 0.00 H new ATOM 0 HA LEU A 32 2.992 -0.387 1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.611 1.549 -0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.886 0.723 -1.060 1.00 0.00 H new ATOM 0 HG LEU A 32 1.838 -0.223 -1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.952 -2.592 -1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.573 -1.912 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.961 -2.107 0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.097 -1.159 -0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.047 -0.626 1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.356 0.577 -0.034 1.00 0.00 H new ATOM 482 N ALA A 33 6.065 -0.124 0.385 1.00 0.00 N ATOM 483 CA ALA A 33 7.284 -0.878 0.137 1.00 0.00 C ATOM 484 C ALA A 33 7.680 -1.654 1.387 1.00 0.00 C ATOM 485 O ALA A 33 8.106 -2.804 1.302 1.00 0.00 O ATOM 486 CB ALA A 33 8.418 0.067 -0.270 1.00 0.00 C ATOM 0 H ALA A 33 6.141 0.880 0.223 1.00 0.00 H new ATOM 0 HA ALA A 33 7.102 -1.580 -0.676 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.325 -0.510 -0.453 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.138 0.601 -1.178 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.599 0.784 0.531 1.00 0.00 H new ATOM 492 N THR A 34 7.507 -1.030 2.548 1.00 0.00 N ATOM 493 CA THR A 34 7.825 -1.699 3.804 1.00 0.00 C ATOM 494 C THR A 34 6.932 -2.928 3.982 1.00 0.00 C ATOM 495 O THR A 34 7.410 -3.999 4.360 1.00 0.00 O ATOM 496 CB THR A 34 7.667 -0.719 4.984 1.00 0.00 C ATOM 497 OG1 THR A 34 8.806 0.131 5.032 1.00 0.00 O ATOM 498 CG2 THR A 34 7.538 -1.479 6.312 1.00 0.00 C ATOM 0 H THR A 34 7.154 -0.078 2.645 1.00 0.00 H new ATOM 0 HA THR A 34 8.862 -2.033 3.781 1.00 0.00 H new ATOM 0 HB THR A 34 6.762 -0.130 4.837 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.714 0.759 5.778 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.428 -0.767 7.130 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.663 -2.128 6.276 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.431 -2.082 6.474 1.00 0.00 H new ATOM 506 N VAL A 35 5.638 -2.781 3.701 1.00 0.00 N ATOM 507 CA VAL A 35 4.726 -3.912 3.836 1.00 0.00 C ATOM 508 C VAL A 35 5.125 -5.018 2.864 1.00 0.00 C ATOM 509 O VAL A 35 5.168 -6.190 3.232 1.00 0.00 O ATOM 510 CB VAL A 35 3.267 -3.480 3.592 1.00 0.00 C ATOM 511 CG1 VAL A 35 2.380 -4.731 3.457 1.00 0.00 C ATOM 512 CG2 VAL A 35 2.791 -2.654 4.789 1.00 0.00 C ATOM 0 H VAL A 35 5.207 -1.912 3.386 1.00 0.00 H new ATOM 0 HA VAL A 35 4.795 -4.291 4.856 1.00 0.00 H new ATOM 0 HB VAL A 35 3.203 -2.888 2.679 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.347 -4.428 3.284 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.726 -5.334 2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.437 -5.318 4.373 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.759 -2.342 4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.851 -3.258 5.695 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.424 -1.773 4.898 1.00 0.00 H new ATOM 522 N ILE A 36 5.422 -4.644 1.627 1.00 0.00 N ATOM 523 CA ILE A 36 5.820 -5.622 0.626 1.00 0.00 C ATOM 524 C ILE A 36 7.117 -6.300 1.051 1.00 0.00 C ATOM 525 O ILE A 36 7.269 -7.513 0.911 1.00 0.00 O ATOM 526 CB ILE A 36 5.979 -4.957 -0.751 1.00 0.00 C ATOM 527 CG1 ILE A 36 4.595 -4.523 -1.295 1.00 0.00 C ATOM 528 CG2 ILE A 36 6.638 -5.937 -1.729 1.00 0.00 C ATOM 529 CD1 ILE A 36 3.880 -5.694 -2.001 1.00 0.00 C ATOM 0 H ILE A 36 5.395 -3.680 1.295 1.00 0.00 H new ATOM 0 HA ILE A 36 5.039 -6.378 0.544 1.00 0.00 H new ATOM 0 HB ILE A 36 6.611 -4.075 -0.647 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.977 -4.158 -0.475 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.719 -3.695 -1.993 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.748 -5.460 -2.703 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.620 -6.222 -1.352 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.015 -6.826 -1.828 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.912 -5.358 -2.372 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.488 -6.041 -2.836 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.735 -6.511 -1.294 1.00 0.00 H new ATOM 541 N ARG A 37 8.041 -5.510 1.573 1.00 0.00 N ATOM 542 CA ARG A 37 9.318 -6.037 2.024 1.00 0.00 C ATOM 543 C ARG A 37 9.119 -7.126 3.069 1.00 0.00 C ATOM 544 O ARG A 37 9.793 -8.154 3.047 1.00 0.00 O ATOM 545 CB ARG A 37 10.154 -4.904 2.617 1.00 0.00 C ATOM 546 CG ARG A 37 11.511 -5.456 3.039 1.00 0.00 C ATOM 547 CD ARG A 37 12.414 -4.320 3.507 1.00 0.00 C ATOM 548 NE ARG A 37 13.762 -4.823 3.753 1.00 0.00 N ATOM 549 CZ ARG A 37 14.071 -5.427 4.894 1.00 0.00 C ATOM 550 NH1 ARG A 37 13.160 -5.589 5.813 1.00 0.00 N ATOM 551 NH2 ARG A 37 15.285 -5.865 5.094 1.00 0.00 N ATOM 0 H ARG A 37 7.931 -4.503 1.695 1.00 0.00 H new ATOM 0 HA ARG A 37 9.835 -6.472 1.169 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.283 -4.108 1.884 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.642 -4.468 3.475 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.383 -6.184 3.840 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.975 -5.980 2.204 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.442 -3.533 2.753 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.011 -3.875 4.417 1.00 0.00 H new ATOM 0 HE ARG A 37 14.479 -4.708 3.036 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.210 -5.252 5.655 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.397 -6.053 6.690 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.996 -5.743 4.373 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.522 -6.329 5.971 1.00 0.00 H new ATOM 565 N SER A 38 8.185 -6.892 3.974 1.00 0.00 N ATOM 566 CA SER A 38 7.891 -7.857 5.026 1.00 0.00 C ATOM 567 C SER A 38 7.141 -9.068 4.479 1.00 0.00 C ATOM 568 O SER A 38 7.283 -10.179 4.991 1.00 0.00 O ATOM 569 CB SER A 38 7.046 -7.206 6.122 1.00 0.00 C ATOM 570 OG SER A 38 7.186 -7.956 7.322 1.00 0.00 O ATOM 0 H SER A 38 7.617 -6.045 4.004 1.00 0.00 H new ATOM 0 HA SER A 38 8.844 -8.190 5.437 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.366 -6.176 6.282 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.999 -7.171 5.820 1.00 0.00 H new ATOM 0 HG SER A 38 6.648 -7.544 8.030 1.00 0.00 H new ATOM 576 N LEU A 39 6.305 -8.844 3.467 1.00 0.00 N ATOM 577 CA LEU A 39 5.503 -9.921 2.910 1.00 0.00 C ATOM 578 C LEU A 39 6.347 -11.044 2.319 1.00 0.00 C ATOM 579 O LEU A 39 6.045 -12.205 2.572 1.00 0.00 O ATOM 580 CB LEU A 39 4.565 -9.359 1.832 1.00 0.00 C ATOM 581 CG LEU A 39 3.321 -8.710 2.476 1.00 0.00 C ATOM 582 CD1 LEU A 39 2.499 -7.999 1.389 1.00 0.00 C ATOM 583 CD2 LEU A 39 2.450 -9.784 3.180 1.00 0.00 C ATOM 0 H LEU A 39 6.169 -7.936 3.023 1.00 0.00 H new ATOM 0 HA LEU A 39 4.929 -10.351 3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.096 -8.621 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.257 -10.158 1.158 1.00 0.00 H new ATOM 0 HG LEU A 39 3.645 -7.986 3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.620 -7.539 1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.109 -7.229 0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.185 -8.724 0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.578 -9.308 3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.124 -10.524 2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.035 -10.275 3.958 1.00 0.00 H new ATOM 595 N ASP A 40 7.397 -10.697 1.556 1.00 0.00 N ATOM 596 CA ASP A 40 8.291 -11.701 0.937 1.00 0.00 C ATOM 597 C ASP A 40 8.833 -11.215 -0.410 1.00 0.00 C ATOM 598 O ASP A 40 9.558 -11.945 -1.081 1.00 0.00 O ATOM 599 CB ASP A 40 7.575 -13.045 0.690 1.00 0.00 C ATOM 600 CG ASP A 40 6.201 -12.801 0.063 1.00 0.00 C ATOM 601 OD1 ASP A 40 5.960 -11.683 -0.372 1.00 0.00 O ATOM 602 OD2 ASP A 40 5.409 -13.725 0.030 1.00 0.00 O ATOM 0 H ASP A 40 7.651 -9.731 1.351 1.00 0.00 H new ATOM 0 HA ASP A 40 9.106 -11.843 1.646 1.00 0.00 H new ATOM 0 HB2 ASP A 40 8.177 -13.671 0.032 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.464 -13.585 1.630 1.00 0.00 H new ATOM 607 N GLN A 41 8.485 -9.991 -0.805 1.00 0.00 N ATOM 608 CA GLN A 41 8.951 -9.436 -2.086 1.00 0.00 C ATOM 609 C GLN A 41 9.559 -8.061 -1.863 1.00 0.00 C ATOM 610 O GLN A 41 9.363 -7.464 -0.812 1.00 0.00 O ATOM 611 CB GLN A 41 7.784 -9.338 -3.071 1.00 0.00 C ATOM 612 CG GLN A 41 7.348 -10.739 -3.497 1.00 0.00 C ATOM 613 CD GLN A 41 8.440 -11.395 -4.336 1.00 0.00 C ATOM 614 OE1 GLN A 41 8.923 -10.802 -5.301 1.00 0.00 O ATOM 615 NE2 GLN A 41 8.858 -12.592 -4.027 1.00 0.00 N ATOM 0 H GLN A 41 7.887 -9.365 -0.265 1.00 0.00 H new ATOM 0 HA GLN A 41 9.710 -10.097 -2.503 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.949 -8.812 -2.608 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.081 -8.758 -3.945 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.140 -11.347 -2.617 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.423 -10.682 -4.070 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.457 -13.082 -3.227 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.586 -13.038 -4.585 1.00 0.00 H new ATOM 624 N ASN A 42 10.297 -7.555 -2.852 1.00 0.00 N ATOM 625 CA ASN A 42 10.924 -6.241 -2.723 1.00 0.00 C ATOM 626 C ASN A 42 11.105 -5.584 -4.090 1.00 0.00 C ATOM 627 O ASN A 42 12.228 -5.446 -4.575 1.00 0.00 O ATOM 628 CB ASN A 42 12.290 -6.385 -2.045 1.00 0.00 C ATOM 629 CG ASN A 42 13.178 -7.329 -2.852 1.00 0.00 C ATOM 630 OD1 ASN A 42 14.142 -6.891 -3.479 1.00 0.00 O ATOM 631 ND2 ASN A 42 12.910 -8.608 -2.871 1.00 0.00 N ATOM 0 H ASN A 42 10.473 -8.028 -3.739 1.00 0.00 H new ATOM 0 HA ASN A 42 10.273 -5.611 -2.117 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.767 -5.409 -1.959 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.164 -6.768 -1.032 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.500 -9.245 -3.406 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.111 -8.969 -2.351 1.00 0.00 H new ATOM 638 N PRO A 43 10.028 -5.167 -4.706 1.00 0.00 N ATOM 639 CA PRO A 43 10.071 -4.495 -6.037 1.00 0.00 C ATOM 640 C PRO A 43 10.761 -3.134 -5.942 1.00 0.00 C ATOM 641 O PRO A 43 10.743 -2.499 -4.888 1.00 0.00 O ATOM 642 CB PRO A 43 8.583 -4.347 -6.437 1.00 0.00 C ATOM 643 CG PRO A 43 7.824 -5.229 -5.489 1.00 0.00 C ATOM 644 CD PRO A 43 8.653 -5.290 -4.211 1.00 0.00 C ATOM 0 HA PRO A 43 10.641 -5.061 -6.773 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.256 -3.310 -6.356 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.422 -4.652 -7.471 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.831 -4.824 -5.291 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.684 -6.224 -5.910 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.397 -4.483 -3.525 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.499 -6.226 -3.674 1.00 0.00 H new ATOM 652 N THR A 44 11.360 -2.682 -7.041 1.00 0.00 N ATOM 653 CA THR A 44 12.031 -1.390 -7.047 1.00 0.00 C ATOM 654 C THR A 44 11.010 -0.281 -7.270 1.00 0.00 C ATOM 655 O THR A 44 9.893 -0.539 -7.720 1.00 0.00 O ATOM 656 CB THR A 44 13.076 -1.355 -8.167 1.00 0.00 C ATOM 657 OG1 THR A 44 12.421 -1.517 -9.421 1.00 0.00 O ATOM 658 CG2 THR A 44 14.085 -2.488 -7.966 1.00 0.00 C ATOM 0 H THR A 44 11.393 -3.186 -7.927 1.00 0.00 H new ATOM 0 HA THR A 44 12.525 -1.240 -6.087 1.00 0.00 H new ATOM 0 HB THR A 44 13.602 -0.400 -8.147 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.084 -1.494 -10.142 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.827 -2.460 -8.764 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.582 -2.366 -7.004 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.565 -3.446 -7.987 1.00 0.00 H new ATOM 666 N GLU A 45 11.397 0.951 -6.946 1.00 0.00 N ATOM 667 CA GLU A 45 10.496 2.094 -7.114 1.00 0.00 C ATOM 668 C GLU A 45 9.724 1.961 -8.426 1.00 0.00 C ATOM 669 O GLU A 45 8.508 2.146 -8.466 1.00 0.00 O ATOM 670 CB GLU A 45 11.290 3.403 -7.117 1.00 0.00 C ATOM 671 CG GLU A 45 11.928 3.618 -5.741 1.00 0.00 C ATOM 672 CD GLU A 45 10.849 3.840 -4.685 1.00 0.00 C ATOM 673 OE1 GLU A 45 9.983 4.666 -4.915 1.00 0.00 O ATOM 674 OE2 GLU A 45 10.902 3.173 -3.665 1.00 0.00 O ATOM 0 H GLU A 45 12.316 1.184 -6.570 1.00 0.00 H new ATOM 0 HA GLU A 45 9.794 2.108 -6.280 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.062 3.371 -7.886 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.633 4.238 -7.359 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.534 2.752 -5.475 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.597 4.478 -5.773 1.00 0.00 H new ATOM 681 N GLU A 46 10.448 1.644 -9.497 1.00 0.00 N ATOM 682 CA GLU A 46 9.836 1.491 -10.812 1.00 0.00 C ATOM 683 C GLU A 46 8.619 0.569 -10.732 1.00 0.00 C ATOM 684 O GLU A 46 7.522 0.937 -11.153 1.00 0.00 O ATOM 685 CB GLU A 46 10.866 0.906 -11.809 1.00 0.00 C ATOM 686 CG GLU A 46 12.288 1.213 -11.338 1.00 0.00 C ATOM 687 CD GLU A 46 12.445 2.711 -11.099 1.00 0.00 C ATOM 688 OE1 GLU A 46 11.635 3.461 -11.617 1.00 0.00 O ATOM 689 OE2 GLU A 46 13.377 3.086 -10.407 1.00 0.00 O ATOM 0 H GLU A 46 11.456 1.489 -9.479 1.00 0.00 H new ATOM 0 HA GLU A 46 9.512 2.472 -11.159 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.728 -0.172 -11.895 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.704 1.329 -12.801 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.502 0.665 -10.420 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.008 0.878 -12.085 1.00 0.00 H new ATOM 696 N GLU A 47 8.818 -0.631 -10.188 1.00 0.00 N ATOM 697 CA GLU A 47 7.720 -1.580 -10.066 1.00 0.00 C ATOM 698 C GLU A 47 6.655 -1.043 -9.119 1.00 0.00 C ATOM 699 O GLU A 47 5.461 -1.124 -9.405 1.00 0.00 O ATOM 700 CB GLU A 47 8.243 -2.927 -9.565 1.00 0.00 C ATOM 701 CG GLU A 47 9.068 -3.596 -10.667 1.00 0.00 C ATOM 702 CD GLU A 47 9.637 -4.922 -10.167 1.00 0.00 C ATOM 703 OE1 GLU A 47 10.132 -4.949 -9.053 1.00 0.00 O ATOM 704 OE2 GLU A 47 9.565 -5.891 -10.907 1.00 0.00 O ATOM 0 H GLU A 47 9.714 -0.962 -9.831 1.00 0.00 H new ATOM 0 HA GLU A 47 7.270 -1.720 -11.049 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.855 -2.783 -8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.410 -3.569 -9.279 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.445 -3.767 -11.545 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.879 -2.937 -10.975 1.00 0.00 H new ATOM 711 N LEU A 48 7.091 -0.484 -7.997 1.00 0.00 N ATOM 712 CA LEU A 48 6.157 0.074 -7.028 1.00 0.00 C ATOM 713 C LEU A 48 5.382 1.229 -7.653 1.00 0.00 C ATOM 714 O LEU A 48 4.168 1.339 -7.485 1.00 0.00 O ATOM 715 CB LEU A 48 6.939 0.551 -5.790 1.00 0.00 C ATOM 716 CG LEU A 48 7.088 -0.600 -4.772 1.00 0.00 C ATOM 717 CD1 LEU A 48 8.319 -0.363 -3.889 1.00 0.00 C ATOM 718 CD2 LEU A 48 5.837 -0.680 -3.880 1.00 0.00 C ATOM 0 H LEU A 48 8.074 -0.405 -7.737 1.00 0.00 H new ATOM 0 HA LEU A 48 5.441 -0.690 -6.725 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.924 0.910 -6.090 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.421 1.391 -5.326 1.00 0.00 H new ATOM 0 HG LEU A 48 7.206 -1.535 -5.319 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.416 -1.180 -3.174 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.211 -0.319 -4.513 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.205 0.578 -3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.951 -1.495 -3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.713 0.260 -3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.959 -0.862 -4.500 1.00 0.00 H new ATOM 730 N GLN A 49 6.088 2.079 -8.382 1.00 0.00 N ATOM 731 CA GLN A 49 5.441 3.208 -9.029 1.00 0.00 C ATOM 732 C GLN A 49 4.453 2.708 -10.078 1.00 0.00 C ATOM 733 O GLN A 49 3.296 3.125 -10.098 1.00 0.00 O ATOM 734 CB GLN A 49 6.491 4.117 -9.675 1.00 0.00 C ATOM 735 CG GLN A 49 5.797 5.275 -10.398 1.00 0.00 C ATOM 736 CD GLN A 49 6.832 6.283 -10.884 1.00 0.00 C ATOM 737 OE1 GLN A 49 6.482 7.272 -11.528 1.00 0.00 O ATOM 738 NE2 GLN A 49 8.094 6.090 -10.615 1.00 0.00 N ATOM 0 H GLN A 49 7.094 2.011 -8.539 1.00 0.00 H new ATOM 0 HA GLN A 49 4.897 3.784 -8.281 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.168 4.505 -8.914 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.096 3.546 -10.379 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.223 4.895 -11.243 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.090 5.762 -9.726 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.382 5.270 -10.081 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.793 6.759 -10.938 1.00 0.00 H new ATOM 747 N ASP A 50 4.913 1.813 -10.948 1.00 0.00 N ATOM 748 CA ASP A 50 4.052 1.272 -11.993 1.00 0.00 C ATOM 749 C ASP A 50 2.874 0.520 -11.376 1.00 0.00 C ATOM 750 O ASP A 50 1.762 0.566 -11.901 1.00 0.00 O ATOM 751 CB ASP A 50 4.847 0.326 -12.899 1.00 0.00 C ATOM 752 CG ASP A 50 3.954 -0.196 -14.020 1.00 0.00 C ATOM 753 OD1 ASP A 50 2.768 0.086 -13.987 1.00 0.00 O ATOM 754 OD2 ASP A 50 4.469 -0.874 -14.894 1.00 0.00 O ATOM 0 H ASP A 50 5.867 1.451 -10.950 1.00 0.00 H new ATOM 0 HA ASP A 50 3.672 2.102 -12.588 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.706 0.849 -13.320 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.237 -0.508 -12.315 1.00 0.00 H new ATOM 759 N MET A 51 3.113 -0.143 -10.248 1.00 0.00 N ATOM 760 CA MET A 51 2.046 -0.863 -9.566 1.00 0.00 C ATOM 761 C MET A 51 1.094 0.132 -8.911 1.00 0.00 C ATOM 762 O MET A 51 -0.123 0.041 -9.079 1.00 0.00 O ATOM 763 CB MET A 51 2.631 -1.807 -8.517 1.00 0.00 C ATOM 764 CG MET A 51 1.497 -2.533 -7.785 1.00 0.00 C ATOM 765 SD MET A 51 2.186 -3.825 -6.716 1.00 0.00 S ATOM 766 CE MET A 51 3.276 -2.771 -5.729 1.00 0.00 C ATOM 0 H MET A 51 4.024 -0.196 -9.793 1.00 0.00 H new ATOM 0 HA MET A 51 1.494 -1.457 -10.294 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.291 -2.531 -8.994 1.00 0.00 H new ATOM 0 HB3 MET A 51 3.235 -1.245 -7.805 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.923 -1.823 -7.190 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.809 -2.974 -8.507 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.398 -3.203 -4.736 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.249 -2.698 -6.215 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.839 -1.776 -5.641 1.00 0.00 H new ATOM 776 N ILE A 52 1.657 1.094 -8.184 1.00 0.00 N ATOM 777 CA ILE A 52 0.841 2.114 -7.539 1.00 0.00 C ATOM 778 C ILE A 52 0.132 2.950 -8.597 1.00 0.00 C ATOM 779 O ILE A 52 -1.058 3.233 -8.479 1.00 0.00 O ATOM 780 CB ILE A 52 1.708 3.012 -6.644 1.00 0.00 C ATOM 781 CG1 ILE A 52 2.181 2.203 -5.434 1.00 0.00 C ATOM 782 CG2 ILE A 52 0.886 4.215 -6.163 1.00 0.00 C ATOM 783 CD1 ILE A 52 3.269 2.982 -4.696 1.00 0.00 C ATOM 0 H ILE A 52 2.661 1.187 -8.029 1.00 0.00 H new ATOM 0 HA ILE A 52 0.096 1.624 -6.912 1.00 0.00 H new ATOM 0 HB ILE A 52 2.568 3.370 -7.211 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.343 2.005 -4.765 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.567 1.236 -5.757 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.506 4.849 -5.529 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.543 4.789 -7.024 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.025 3.863 -5.594 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.607 2.407 -3.834 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.110 3.157 -5.367 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.868 3.938 -4.360 1.00 0.00 H new ATOM 795 N SER A 53 0.869 3.329 -9.635 1.00 0.00 N ATOM 796 CA SER A 53 0.287 4.123 -10.706 1.00 0.00 C ATOM 797 C SER A 53 -0.884 3.369 -11.325 1.00 0.00 C ATOM 798 O SER A 53 -1.945 3.944 -11.572 1.00 0.00 O ATOM 799 CB SER A 53 1.343 4.425 -11.772 1.00 0.00 C ATOM 800 OG SER A 53 2.369 5.227 -11.198 1.00 0.00 O ATOM 0 H SER A 53 1.856 3.103 -9.756 1.00 0.00 H new ATOM 0 HA SER A 53 -0.073 5.067 -10.296 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.763 3.496 -12.158 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.888 4.944 -12.616 1.00 0.00 H new ATOM 0 HG SER A 53 3.092 4.650 -10.874 1.00 0.00 H new ATOM 806 N GLU A 54 -0.682 2.080 -11.580 1.00 0.00 N ATOM 807 CA GLU A 54 -1.725 1.258 -12.179 1.00 0.00 C ATOM 808 C GLU A 54 -3.068 1.492 -11.485 1.00 0.00 C ATOM 809 O GLU A 54 -4.124 1.321 -12.095 1.00 0.00 O ATOM 810 CB GLU A 54 -1.346 -0.227 -12.076 1.00 0.00 C ATOM 811 CG GLU A 54 -2.276 -1.052 -12.972 1.00 0.00 C ATOM 812 CD GLU A 54 -1.915 -0.834 -14.439 1.00 0.00 C ATOM 813 OE1 GLU A 54 -0.895 -0.218 -14.693 1.00 0.00 O ATOM 814 OE2 GLU A 54 -2.662 -1.297 -15.286 1.00 0.00 O ATOM 0 H GLU A 54 0.188 1.586 -11.383 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.820 1.539 -13.228 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.309 -0.371 -12.379 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.426 -0.563 -11.042 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.192 -2.110 -12.721 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.313 -0.764 -12.797 1.00 0.00 H new ATOM 821 N VAL A 55 -3.027 1.882 -10.205 1.00 0.00 N ATOM 822 CA VAL A 55 -4.258 2.132 -9.439 1.00 0.00 C ATOM 823 C VAL A 55 -4.381 3.592 -9.022 1.00 0.00 C ATOM 824 O VAL A 55 -5.487 4.072 -8.774 1.00 0.00 O ATOM 825 CB VAL A 55 -4.286 1.250 -8.191 1.00 0.00 C ATOM 826 CG1 VAL A 55 -3.035 1.504 -7.345 1.00 0.00 C ATOM 827 CG2 VAL A 55 -5.537 1.569 -7.367 1.00 0.00 C ATOM 0 H VAL A 55 -2.165 2.031 -9.681 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.099 1.891 -10.089 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.306 0.203 -8.493 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.062 0.872 -6.457 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.146 1.270 -7.931 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.006 2.551 -7.044 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.557 0.940 -6.477 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.519 2.618 -7.070 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.427 1.377 -7.967 1.00 0.00 H new ATOM 837 N ASP A 56 -3.264 4.297 -8.924 1.00 0.00 N ATOM 838 CA ASP A 56 -3.317 5.691 -8.522 1.00 0.00 C ATOM 839 C ASP A 56 -4.083 6.475 -9.578 1.00 0.00 C ATOM 840 O ASP A 56 -3.498 7.164 -10.416 1.00 0.00 O ATOM 841 CB ASP A 56 -1.899 6.254 -8.349 1.00 0.00 C ATOM 842 CG ASP A 56 -1.912 7.448 -7.400 1.00 0.00 C ATOM 843 OD1 ASP A 56 -2.958 8.058 -7.263 1.00 0.00 O ATOM 844 OD2 ASP A 56 -0.874 7.735 -6.829 1.00 0.00 O ATOM 0 H ASP A 56 -2.329 3.935 -9.113 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.828 5.779 -7.563 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.238 5.479 -7.960 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.500 6.556 -9.318 1.00 0.00 H new ATOM 849 N ALA A 57 -5.400 6.349 -9.524 1.00 0.00 N ATOM 850 CA ALA A 57 -6.266 7.034 -10.474 1.00 0.00 C ATOM 851 C ALA A 57 -6.145 8.543 -10.311 1.00 0.00 C ATOM 852 O ALA A 57 -6.246 9.292 -11.282 1.00 0.00 O ATOM 853 CB ALA A 57 -7.725 6.615 -10.266 1.00 0.00 C ATOM 0 H ALA A 57 -5.892 5.781 -8.835 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.953 6.756 -11.480 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.359 7.136 -10.984 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.819 5.539 -10.413 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -8.036 6.872 -9.253 1.00 0.00 H new ATOM 859 N ASP A 58 -5.946 8.982 -9.069 1.00 0.00 N ATOM 860 CA ASP A 58 -5.832 10.412 -8.781 1.00 0.00 C ATOM 861 C ASP A 58 -4.392 10.902 -8.921 1.00 0.00 C ATOM 862 O ASP A 58 -4.157 12.090 -9.141 1.00 0.00 O ATOM 863 CB ASP A 58 -6.330 10.689 -7.363 1.00 0.00 C ATOM 864 CG ASP A 58 -5.607 9.781 -6.375 1.00 0.00 C ATOM 865 OD1 ASP A 58 -5.166 8.722 -6.788 1.00 0.00 O ATOM 866 OD2 ASP A 58 -5.509 10.155 -5.219 1.00 0.00 O ATOM 0 H ASP A 58 -5.861 8.376 -8.253 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.443 10.951 -9.506 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.157 11.734 -7.105 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.405 10.520 -7.306 1.00 0.00 H new ATOM 871 N GLY A 59 -3.429 9.994 -8.795 1.00 0.00 N ATOM 872 CA GLY A 59 -2.023 10.377 -8.916 1.00 0.00 C ATOM 873 C GLY A 59 -1.621 11.363 -7.821 1.00 0.00 C ATOM 874 O GLY A 59 -1.341 12.527 -8.106 1.00 0.00 O ATOM 0 H GLY A 59 -3.590 9.003 -8.612 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.395 9.488 -8.856 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.849 10.825 -9.894 1.00 0.00 H new ATOM 878 N ASN A 60 -1.593 10.897 -6.565 1.00 0.00 N ATOM 879 CA ASN A 60 -1.221 11.763 -5.435 1.00 0.00 C ATOM 880 C ASN A 60 0.104 11.331 -4.810 1.00 0.00 C ATOM 881 O ASN A 60 0.703 12.082 -4.039 1.00 0.00 O ATOM 882 CB ASN A 60 -2.313 11.725 -4.363 1.00 0.00 C ATOM 883 CG ASN A 60 -2.425 10.320 -3.783 1.00 0.00 C ATOM 884 OD1 ASN A 60 -1.655 9.434 -4.149 1.00 0.00 O ATOM 885 ND2 ASN A 60 -3.346 10.064 -2.896 1.00 0.00 N ATOM 0 H ASN A 60 -1.820 9.937 -6.306 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.109 12.776 -5.821 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.081 12.437 -3.571 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.268 12.027 -4.794 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.429 9.126 -2.503 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.983 10.802 -2.595 1.00 0.00 H new ATOM 892 N GLY A 61 0.563 10.117 -5.125 1.00 0.00 N ATOM 893 CA GLY A 61 1.821 9.613 -4.564 1.00 0.00 C ATOM 894 C GLY A 61 1.561 8.765 -3.319 1.00 0.00 C ATOM 895 O GLY A 61 2.487 8.400 -2.595 1.00 0.00 O ATOM 0 H GLY A 61 0.090 9.471 -5.757 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.345 9.018 -5.312 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.472 10.450 -4.310 1.00 0.00 H new ATOM 899 N THR A 62 0.288 8.456 -3.087 1.00 0.00 N ATOM 900 CA THR A 62 -0.125 7.645 -1.941 1.00 0.00 C ATOM 901 C THR A 62 -1.247 6.692 -2.352 1.00 0.00 C ATOM 902 O THR A 62 -1.796 6.808 -3.446 1.00 0.00 O ATOM 903 CB THR A 62 -0.614 8.549 -0.806 1.00 0.00 C ATOM 904 OG1 THR A 62 -1.752 9.281 -1.239 1.00 0.00 O ATOM 905 CG2 THR A 62 0.500 9.514 -0.400 1.00 0.00 C ATOM 0 H THR A 62 -0.483 8.757 -3.683 1.00 0.00 H new ATOM 0 HA THR A 62 0.732 7.066 -1.596 1.00 0.00 H new ATOM 0 HB THR A 62 -0.886 7.937 0.054 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.547 8.963 -0.761 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.149 10.156 0.408 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.367 8.947 -0.062 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.779 10.128 -1.256 1.00 0.00 H new ATOM 913 N ILE A 63 -1.590 5.763 -1.460 1.00 0.00 N ATOM 914 CA ILE A 63 -2.661 4.797 -1.730 1.00 0.00 C ATOM 915 C ILE A 63 -3.765 4.956 -0.687 1.00 0.00 C ATOM 916 O ILE A 63 -3.499 4.929 0.516 1.00 0.00 O ATOM 917 CB ILE A 63 -2.116 3.364 -1.667 1.00 0.00 C ATOM 918 CG1 ILE A 63 -0.946 3.211 -2.648 1.00 0.00 C ATOM 919 CG2 ILE A 63 -3.216 2.376 -2.062 1.00 0.00 C ATOM 920 CD1 ILE A 63 -0.316 1.808 -2.531 1.00 0.00 C ATOM 0 H ILE A 63 -1.146 5.657 -0.548 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.059 4.985 -2.727 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.779 3.160 -0.651 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.296 3.374 -3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.192 3.972 -2.444 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.826 1.359 -2.016 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.056 2.473 -1.375 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.551 2.591 -3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.511 1.721 -3.235 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.054 1.659 -1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.067 1.052 -2.759 1.00 0.00 H new ATOM 932 N GLU A 64 -5.003 5.120 -1.151 1.00 0.00 N ATOM 933 CA GLU A 64 -6.143 5.282 -0.242 1.00 0.00 C ATOM 934 C GLU A 64 -6.875 3.949 -0.086 1.00 0.00 C ATOM 935 O GLU A 64 -6.624 3.004 -0.835 1.00 0.00 O ATOM 936 CB GLU A 64 -7.094 6.356 -0.790 1.00 0.00 C ATOM 937 CG GLU A 64 -8.163 6.695 0.258 1.00 0.00 C ATOM 938 CD GLU A 64 -8.955 7.921 -0.173 1.00 0.00 C ATOM 939 OE1 GLU A 64 -8.846 8.297 -1.328 1.00 0.00 O ATOM 940 OE2 GLU A 64 -9.661 8.464 0.660 1.00 0.00 O ATOM 0 H GLU A 64 -5.244 5.145 -2.142 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.784 5.599 0.737 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.532 7.253 -1.051 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.569 6.000 -1.704 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.835 5.847 0.389 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.691 6.880 1.223 1.00 0.00 H new ATOM 947 N PHE A 65 -7.769 3.873 0.897 1.00 0.00 N ATOM 948 CA PHE A 65 -8.511 2.644 1.143 1.00 0.00 C ATOM 949 C PHE A 65 -9.186 2.161 -0.141 1.00 0.00 C ATOM 950 O PHE A 65 -9.066 0.991 -0.500 1.00 0.00 O ATOM 951 CB PHE A 65 -9.570 2.879 2.232 1.00 0.00 C ATOM 952 CG PHE A 65 -10.506 1.686 2.307 1.00 0.00 C ATOM 953 CD1 PHE A 65 -10.010 0.429 2.672 1.00 0.00 C ATOM 954 CD2 PHE A 65 -11.867 1.837 2.002 1.00 0.00 C ATOM 955 CE1 PHE A 65 -10.871 -0.676 2.733 1.00 0.00 C ATOM 956 CE2 PHE A 65 -12.728 0.733 2.064 1.00 0.00 C ATOM 957 CZ PHE A 65 -12.230 -0.523 2.429 1.00 0.00 C ATOM 0 H PHE A 65 -7.994 4.641 1.529 1.00 0.00 H new ATOM 0 HA PHE A 65 -7.813 1.878 1.481 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.085 3.033 3.196 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -10.137 3.784 2.012 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.963 0.310 2.907 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -12.252 2.806 1.719 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -10.486 -1.645 3.014 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -13.776 0.851 1.830 1.00 0.00 H new ATOM 0 HZ PHE A 65 -12.893 -1.374 2.476 1.00 0.00 H new ATOM 967 N ASP A 66 -9.894 3.051 -0.828 1.00 0.00 N ATOM 968 CA ASP A 66 -10.569 2.662 -2.058 1.00 0.00 C ATOM 969 C ASP A 66 -9.554 2.165 -3.079 1.00 0.00 C ATOM 970 O ASP A 66 -9.777 1.160 -3.752 1.00 0.00 O ATOM 971 CB ASP A 66 -11.336 3.854 -2.636 1.00 0.00 C ATOM 972 CG ASP A 66 -12.566 4.146 -1.783 1.00 0.00 C ATOM 973 OD1 ASP A 66 -12.922 3.299 -0.980 1.00 0.00 O ATOM 974 OD2 ASP A 66 -13.136 5.213 -1.946 1.00 0.00 O ATOM 0 H ASP A 66 -10.014 4.028 -0.560 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.271 1.859 -1.831 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.690 4.731 -2.669 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.637 3.641 -3.662 1.00 0.00 H new ATOM 979 N GLU A 67 -8.431 2.867 -3.178 1.00 0.00 N ATOM 980 CA GLU A 67 -7.385 2.475 -4.109 1.00 0.00 C ATOM 981 C GLU A 67 -6.786 1.135 -3.691 1.00 0.00 C ATOM 982 O GLU A 67 -6.573 0.251 -4.521 1.00 0.00 O ATOM 983 CB GLU A 67 -6.293 3.545 -4.136 1.00 0.00 C ATOM 984 CG GLU A 67 -6.841 4.814 -4.794 1.00 0.00 C ATOM 985 CD GLU A 67 -5.795 5.919 -4.729 1.00 0.00 C ATOM 986 OE1 GLU A 67 -4.699 5.639 -4.276 1.00 0.00 O ATOM 987 OE2 GLU A 67 -6.104 7.027 -5.134 1.00 0.00 O ATOM 0 H GLU A 67 -8.224 3.702 -2.630 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.815 2.374 -5.105 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.957 3.764 -3.122 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.426 3.182 -4.687 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.106 4.612 -5.832 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.753 5.133 -4.288 1.00 0.00 H new ATOM 994 N PHE A 68 -6.532 0.989 -2.396 1.00 0.00 N ATOM 995 CA PHE A 68 -5.971 -0.248 -1.871 1.00 0.00 C ATOM 996 C PHE A 68 -6.923 -1.412 -2.125 1.00 0.00 C ATOM 997 O PHE A 68 -6.500 -2.487 -2.546 1.00 0.00 O ATOM 998 CB PHE A 68 -5.702 -0.119 -0.370 1.00 0.00 C ATOM 999 CG PHE A 68 -5.079 -1.398 0.139 1.00 0.00 C ATOM 1000 CD1 PHE A 68 -3.716 -1.646 -0.065 1.00 0.00 C ATOM 1001 CD2 PHE A 68 -5.867 -2.340 0.813 1.00 0.00 C ATOM 1002 CE1 PHE A 68 -3.139 -2.832 0.408 1.00 0.00 C ATOM 1003 CE2 PHE A 68 -5.292 -3.524 1.284 1.00 0.00 C ATOM 1004 CZ PHE A 68 -3.929 -3.771 1.083 1.00 0.00 C ATOM 0 H PHE A 68 -6.705 1.708 -1.694 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.029 -0.441 -2.384 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.037 0.723 -0.179 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.632 0.082 0.162 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.109 -0.922 -0.588 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.919 -2.151 0.969 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.087 -3.022 0.252 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.900 -4.249 1.804 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.486 -4.686 1.448 1.00 0.00 H new ATOM 1014 N LEU A 69 -8.213 -1.191 -1.879 1.00 0.00 N ATOM 1015 CA LEU A 69 -9.212 -2.231 -2.099 1.00 0.00 C ATOM 1016 C LEU A 69 -9.279 -2.607 -3.573 1.00 0.00 C ATOM 1017 O LEU A 69 -9.373 -3.784 -3.918 1.00 0.00 O ATOM 1018 CB LEU A 69 -10.588 -1.747 -1.617 1.00 0.00 C ATOM 1019 CG LEU A 69 -11.686 -2.758 -1.999 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -11.331 -4.145 -1.453 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -13.022 -2.304 -1.399 1.00 0.00 C ATOM 0 H LEU A 69 -8.587 -0.309 -1.530 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.924 -3.115 -1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.573 -1.611 -0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.812 -0.776 -2.058 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.766 -2.809 -3.085 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.112 -4.855 -1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.380 -4.470 -1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.248 -4.098 -0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -13.802 -3.017 -1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.935 -2.252 -0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.280 -1.320 -1.789 1.00 0.00 H new ATOM 1033 N SER A 70 -9.224 -1.603 -4.440 1.00 0.00 N ATOM 1034 CA SER A 70 -9.273 -1.853 -5.871 1.00 0.00 C ATOM 1035 C SER A 70 -8.045 -2.633 -6.325 1.00 0.00 C ATOM 1036 O SER A 70 -8.168 -3.630 -7.029 1.00 0.00 O ATOM 1037 CB SER A 70 -9.349 -0.533 -6.637 1.00 0.00 C ATOM 1038 OG SER A 70 -10.590 0.102 -6.363 1.00 0.00 O ATOM 0 H SER A 70 -9.146 -0.620 -4.179 1.00 0.00 H new ATOM 0 HA SER A 70 -10.164 -2.444 -6.080 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.524 0.117 -6.346 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.250 -0.715 -7.707 1.00 0.00 H new ATOM 0 HG SER A 70 -10.540 0.557 -5.497 1.00 0.00 H new ATOM 1044 N LEU A 71 -6.863 -2.178 -5.918 1.00 0.00 N ATOM 1045 CA LEU A 71 -5.625 -2.840 -6.310 1.00 0.00 C ATOM 1046 C LEU A 71 -5.622 -4.292 -5.847 1.00 0.00 C ATOM 1047 O LEU A 71 -5.219 -5.193 -6.587 1.00 0.00 O ATOM 1048 CB LEU A 71 -4.431 -2.109 -5.688 1.00 0.00 C ATOM 1049 CG LEU A 71 -3.108 -2.768 -6.109 1.00 0.00 C ATOM 1050 CD1 LEU A 71 -2.979 -2.793 -7.643 1.00 0.00 C ATOM 1051 CD2 LEU A 71 -1.943 -1.969 -5.513 1.00 0.00 C ATOM 0 H LEU A 71 -6.738 -1.360 -5.322 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.549 -2.816 -7.397 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.437 -1.064 -5.998 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.518 -2.120 -4.602 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.089 -3.794 -5.742 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.036 -3.263 -7.921 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.807 -3.360 -8.069 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.003 -1.773 -8.027 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.999 -2.429 -5.806 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.978 -0.944 -5.883 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.023 -1.965 -4.426 1.00 0.00 H new ATOM 1063 N MET A 72 -6.102 -4.523 -4.634 1.00 0.00 N ATOM 1064 CA MET A 72 -6.168 -5.880 -4.110 1.00 0.00 C ATOM 1065 C MET A 72 -7.214 -6.691 -4.880 1.00 0.00 C ATOM 1066 O MET A 72 -6.901 -7.730 -5.471 1.00 0.00 O ATOM 1067 CB MET A 72 -6.519 -5.850 -2.618 1.00 0.00 C ATOM 1068 CG MET A 72 -5.356 -5.261 -1.820 1.00 0.00 C ATOM 1069 SD MET A 72 -3.939 -6.388 -1.867 1.00 0.00 S ATOM 1070 CE MET A 72 -4.413 -7.430 -0.464 1.00 0.00 C ATOM 0 H MET A 72 -6.447 -3.801 -4.002 1.00 0.00 H new ATOM 0 HA MET A 72 -5.194 -6.354 -4.234 1.00 0.00 H new ATOM 0 HB2 MET A 72 -7.418 -5.255 -2.459 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.738 -6.858 -2.267 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.075 -4.292 -2.233 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.662 -5.091 -0.788 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.661 -8.205 -0.316 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.486 -6.818 0.435 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.378 -7.895 -0.666 1.00 0.00 H new ATOM 1080 N ALA A 73 -8.459 -6.208 -4.885 1.00 0.00 N ATOM 1081 CA ALA A 73 -9.531 -6.893 -5.600 1.00 0.00 C ATOM 1082 C ALA A 73 -9.213 -6.967 -7.098 1.00 0.00 C ATOM 1083 O ALA A 73 -9.607 -7.913 -7.785 1.00 0.00 O ATOM 1084 CB ALA A 73 -10.858 -6.157 -5.388 1.00 0.00 C ATOM 0 H ALA A 73 -8.745 -5.354 -4.406 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.616 -7.906 -5.208 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.652 -6.676 -5.925 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.095 -6.134 -4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.772 -5.137 -5.763 1.00 0.00 H new ATOM 1090 N LYS A 74 -8.475 -5.969 -7.590 1.00 0.00 N ATOM 1091 CA LYS A 74 -8.081 -5.937 -8.998 1.00 0.00 C ATOM 1092 C LYS A 74 -7.139 -7.090 -9.319 1.00 0.00 C ATOM 1093 O LYS A 74 -7.209 -7.657 -10.409 1.00 0.00 O ATOM 1094 CB LYS A 74 -7.427 -4.592 -9.347 1.00 0.00 C ATOM 1095 CG LYS A 74 -6.879 -4.611 -10.778 1.00 0.00 C ATOM 1096 CD LYS A 74 -6.290 -3.241 -11.112 1.00 0.00 C ATOM 1097 CE LYS A 74 -5.638 -3.297 -12.490 1.00 0.00 C ATOM 1098 NZ LYS A 74 -6.670 -3.633 -13.513 1.00 0.00 N ATOM 0 H LYS A 74 -8.141 -5.179 -7.038 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.979 -6.049 -9.606 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.157 -3.789 -9.242 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.619 -4.382 -8.646 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.115 -5.382 -10.877 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.674 -4.859 -11.481 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.072 -2.482 -11.097 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.555 -2.955 -10.360 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.176 -2.338 -12.725 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.844 -4.044 -12.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.311 -3.394 -14.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.883 -4.650 -13.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.536 -3.089 -13.324 1.00 0.00 H new ATOM 1112 N LYS A 75 -6.271 -7.438 -8.377 1.00 0.00 N ATOM 1113 CA LYS A 75 -5.342 -8.542 -8.594 1.00 0.00 C ATOM 1114 C LYS A 75 -6.075 -9.881 -8.569 1.00 0.00 C ATOM 1115 O LYS A 75 -5.837 -10.739 -9.418 1.00 0.00 O ATOM 1116 CB LYS A 75 -4.250 -8.525 -7.522 1.00 0.00 C ATOM 1117 CG LYS A 75 -3.331 -7.309 -7.730 1.00 0.00 C ATOM 1118 CD LYS A 75 -2.250 -7.624 -8.776 1.00 0.00 C ATOM 1119 CE LYS A 75 -1.312 -6.425 -8.913 1.00 0.00 C ATOM 1120 NZ LYS A 75 -0.532 -6.263 -7.656 1.00 0.00 N ATOM 0 H LYS A 75 -6.190 -6.981 -7.469 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.885 -8.418 -9.576 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.702 -8.485 -6.531 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.667 -9.445 -7.570 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.920 -6.452 -8.055 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.862 -7.034 -6.785 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.687 -8.508 -8.478 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.713 -7.850 -9.737 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.637 -6.571 -9.757 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.886 -5.521 -9.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.327 -5.710 -7.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.112 -5.767 -6.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.266 -7.199 -7.290 1.00 0.00 H new ATOM 1134 N VAL A 76 -6.960 -10.056 -7.591 1.00 0.00 N ATOM 1135 CA VAL A 76 -7.709 -11.307 -7.474 1.00 0.00 C ATOM 1136 C VAL A 76 -8.873 -11.334 -8.460 1.00 0.00 C ATOM 1137 O VAL A 76 -9.550 -12.350 -8.611 1.00 0.00 O ATOM 1138 CB VAL A 76 -8.239 -11.477 -6.034 1.00 0.00 C ATOM 1139 CG1 VAL A 76 -9.566 -10.714 -5.850 1.00 0.00 C ATOM 1140 CG2 VAL A 76 -8.460 -12.969 -5.743 1.00 0.00 C ATOM 0 H VAL A 76 -7.175 -9.360 -6.877 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.036 -12.131 -7.708 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.504 -11.070 -5.340 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.923 -10.846 -4.829 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.406 -9.653 -6.044 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -10.309 -11.102 -6.547 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.834 -13.090 -4.726 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.187 -13.373 -6.448 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.516 -13.504 -5.848 1.00 0.00 H new ATOM 1150 N LYS A 77 -9.113 -10.205 -9.121 1.00 0.00 N ATOM 1151 CA LYS A 77 -10.211 -10.120 -10.079 1.00 0.00 C ATOM 1152 C LYS A 77 -10.190 -11.326 -11.011 1.00 0.00 C ATOM 1153 O LYS A 77 -11.170 -11.608 -11.703 1.00 0.00 O ATOM 1154 CB LYS A 77 -10.098 -8.824 -10.889 1.00 0.00 C ATOM 1155 CG LYS A 77 -11.295 -8.687 -11.835 1.00 0.00 C ATOM 1156 CD LYS A 77 -11.229 -7.327 -12.531 1.00 0.00 C ATOM 1157 CE LYS A 77 -12.432 -7.165 -13.463 1.00 0.00 C ATOM 1158 NZ LYS A 77 -12.310 -8.120 -14.603 1.00 0.00 N ATOM 0 H LYS A 77 -8.571 -9.348 -9.014 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.156 -10.116 -9.535 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.057 -7.968 -10.216 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.170 -8.824 -11.462 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.284 -9.488 -12.574 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.227 -8.780 -11.278 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.221 -6.528 -11.789 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -10.303 -7.243 -13.099 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.357 -7.351 -12.916 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.482 -6.142 -13.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.972 -7.847 -15.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -11.338 -8.099 -14.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.536 -9.081 -14.276 1.00 0.00 H new ATOM 1172 N ASP A 78 -9.073 -12.044 -11.013 1.00 0.00 N ATOM 1173 CA ASP A 78 -8.947 -13.219 -11.860 1.00 0.00 C ATOM 1174 C ASP A 78 -10.050 -14.227 -11.544 1.00 0.00 C ATOM 1175 O ASP A 78 -10.790 -14.639 -12.436 1.00 0.00 O ATOM 1176 CB ASP A 78 -7.582 -13.878 -11.652 1.00 0.00 C ATOM 1177 CG ASP A 78 -7.492 -15.149 -12.490 1.00 0.00 C ATOM 1178 OD1 ASP A 78 -8.406 -15.395 -13.257 1.00 0.00 O ATOM 1179 OD2 ASP A 78 -6.507 -15.856 -12.350 1.00 0.00 O ATOM 0 H ASP A 78 -8.252 -11.835 -10.445 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.041 -12.902 -12.899 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.787 -13.188 -11.934 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.439 -14.115 -10.598 1.00 0.00 H new ATOM 1184 N THR A 79 -10.165 -14.621 -10.279 1.00 0.00 N ATOM 1185 CA THR A 79 -11.194 -15.584 -9.890 1.00 0.00 C ATOM 1186 C THR A 79 -11.436 -15.530 -8.386 1.00 0.00 C ATOM 1187 O THR A 79 -11.317 -16.562 -7.749 1.00 0.00 O ATOM 1188 CB THR A 79 -10.778 -17.002 -10.297 1.00 0.00 C ATOM 1189 OG1 THR A 79 -11.618 -17.946 -9.646 1.00 0.00 O ATOM 1190 CG2 THR A 79 -9.323 -17.254 -9.896 1.00 0.00 C ATOM 1191 OXT THR A 79 -11.737 -14.456 -7.897 1.00 0.00 O ATOM 0 H THR A 79 -9.570 -14.296 -9.517 1.00 0.00 H new ATOM 0 HA THR A 79 -12.118 -15.322 -10.405 1.00 0.00 H new ATOM 0 HB THR A 79 -10.875 -17.108 -11.378 1.00 0.00 H new ATOM 0 HG1 THR A 79 -11.352 -18.027 -8.706 1.00 0.00 H new ATOM 0 HG21 THR A 79 -9.035 -18.264 -10.188 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.677 -16.533 -10.397 1.00 0.00 H new ATOM 0 HG23 THR A 79 -9.219 -17.145 -8.816 1.00 0.00 H new TER 1199 THR A 79 HETATM 1200 CA CA A 179 0.674 5.057 6.463 1.00 0.00 CA HETATM 1201 CA CA A 192 -3.941 7.887 -4.621 1.00 0.00 CA